4-[1-(2-chloro-4-propan-2-ylphenyl)piperidin-4-yl]morpholine;4-[1-(2-fluoro-4-propan-2-ylphenyl)piperidin-4-yl]morpholine;1-(2-fluoro-4-propan-2-ylphenyl)-4-piperidin-1-ylpiperidine;2-(4-piperidin-1-ylpiperidin-1-yl)-5-propan-2-ylpyridine

C73H112ClF2N9O2 — CID 161432667

IUPAC4-[1-(2-chloro-4-propan-2-ylphenyl)piperidin-4-yl]morpholine;4-[1-(2-fluoro-4-propan-2-ylphenyl)piperidin-4-yl]morpholine;1-(2-fluoro-4-propan-2-ylphenyl)-4-piperidin-1-ylpiperidine;2-(4-piperidin-1-ylpiperidin-1-yl)-5-propan-2-ylpyridine
SMILESCC(C)c1ccc(N2CCC(N3CCCCC3)CC2)c(F)c1.CC(C)c1ccc(N2CCC(N3CCCCC3)CC2)nc1.CC(C)c1ccc(N2CCC(N3CCOCC3)CC2)c(Cl)c1.CC(C)c1ccc(N2CCC(N3CCOCC3)CC2)c(F)c1
InChIInChI=1S/C19H29FN2.C18H27ClN2O.C18H27FN2O.C18H29N3/c1-15(2)16-6-7-19(18(20)14-16)22-12-8-17(9-13-22)21-10-4-3-5-11-21;2*1-14(2)15-3-4-18(17(19)13-15)21-7-5-16(6-8-21)20-9-11-22-12-10-20;1-15(2)16-6-7-18(19-14-16)21-12-8-17(9-13-21)20-10-4-3-5-11-20/h6-7,14-15,17H,3-5,8-13H2,1-2H3;2*3-4,13-14,16H,5-12H2,1-2H3;6-7,14-15,17H,3-5,8-13H2,1-2H3
InChIKeyVYFNZOUFMDKGJS-UHFFFAOYSA-N
MW1221.21 g/mol
LogP15.08
Rot. Bonds12

About 4-[1-(2-chloro-4-propan-2-ylphenyl)piperidin-4-yl]morpholine;4-[1-(2-fluoro-4-propan-2-ylphenyl)piperidin-4-yl]morpholine;1-(2-fluoro-4-propan-2-ylphenyl)-4-piperidin-1-ylpiperidine;2-(4-piperidin-1-ylpiperidin-1-yl)-5-propan-2-ylpyridine

4-[1-(2-chloro-4-propan-2-ylphenyl)piperidin-4-yl]morpholine;4-[1-(2-fluoro-4-propan-2-ylphenyl)piperidin-4-yl]morpholine;1-(2-fluoro-4-propan-2-ylphenyl)-4-piperidin-1-ylpiperidine;2-(4-piperidin-1-ylpiperidin-1-yl)-5-propan-2-ylpyridine (PubChem CID 161432667) has the molecular formula C73H112ClF2N9O2 and a molecular weight of 1221.21 g/mol. Its IUPAC name is 4-[1-(2-chloro-4-propan-2-ylphenyl)piperidin-4-yl]morpholine;4-[1-(2-fluoro-4-propan-2-ylphenyl)piperidin-4-yl]morpholine;1-(2-fluoro-4-propan-2-ylphenyl)-4-piperidin-1-ylpiperidine;2-(4-piperidin-1-ylpiperidin-1-yl)-5-propan-2-ylpyridine.

Molecular Properties

Compound Name4-[1-(2-chloro-4-propan-2-ylphenyl)piperidin-4-yl]morpholine;4-[1-(2-fluoro-4-propan-2-ylphenyl)piperidin-4-yl]morpholine;1-(2-fluoro-4-propan-2-ylphenyl)-4-piperidin-1-ylpiperidine;2-(4-piperidin-1-ylpiperidin-1-yl)-5-propan-2-ylpyridine
PubChem CID161432667
Molecular FormulaC73H112ClF2N9O2
Molecular Weight1221.21 g/mol
Exact Mass1219.86
IUPAC Name4-[1-(2-chloro-4-propan-2-ylphenyl)piperidin-4-yl]morpholine;4-[1-(2-fluoro-4-propan-2-ylphenyl)piperidin-4-yl]morpholine;1-(2-fluoro-4-propan-2-ylphenyl)-4-piperidin-1-ylpiperidine;2-(4-piperidin-1-ylpiperidin-1-yl)-5-propan-2-ylpyridine
SMILESCC(C)c1ccc(N2CCC(N3CCCCC3)CC2)c(F)c1.CC(C)c1ccc(N2CCC(N3CCCCC3)CC2)nc1.CC(C)c1ccc(N2CCC(N3CCOCC3)CC2)c(Cl)c1.CC(C)c1ccc(N2CCC(N3CCOCC3)CC2)c(F)c1
InChIInChI=1S/C19H29FN2.C18H27ClN2O.C18H27FN2O.C18H29N3/c1-15(2)16-6-7-19(18(20)14-16)22-12-8-17(9-13-22)21-10-4-3-5-11-21;2*1-14(2)15-3-4-18(17(19)13-15)21-7-5-16(6-8-21)20-9-11-22-12-10-20;1-15(2)16-6-7-18(19-14-16)21-12-8-17(9-13-21)20-10-4-3-5-11-20/h6-7,14-15,17H,3-5,8-13H2,1-2H3;2*3-4,13-14,16H,5-12H2,1-2H3;6-7,14-15,17H,3-5,8-13H2,1-2H3
InChIKeyVYFNZOUFMDKGJS-UHFFFAOYSA-N
XLogP15.08
TPSA57.27 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001221.21
LogP ≤ 515.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 4-[1-(2-chloro-4-propan-2-ylphenyl)piperidin-4-yl]morpholine;4-[1-(2-fluoro-4-propan-2-ylphenyl)piperidin-4-yl]morpholine;1-(2-fluoro-4-propan-2-ylphenyl)-4-piperidin-1-ylpiperidine;2-(4-piperidin-1-ylpiperidin-1-yl)-5-propan-2-ylpyridine with MolForge

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Launch Full Analysis

Related Compounds

(1R)-1-[3-fluoro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 63369223
4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 20750181
4-(2-fluoro-4-propan-2-ylphenyl)morpholine
CID 59216821
1-(4-butan-2-yl-2-fluorophenyl)-4-(oxan-4-yl)piperazine
CID 135291685
methane;4-piperidin-1-yl-1-(4-propan-2-ylphenyl)piperidine;bis(1-(4-propan-2-ylphenyl)piperidine)
CID 165092457
1-(4-tert-butyl-2-fluorophenyl)-4-pyrrolidin-1-ylpiperidine
CID 59295552
(1R)-1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine
CID 78934597
5-propan-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine
CID 143718986
1-[1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-yl]azetidin-3-ol
CID 163566673
(1R)-1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]ethanol
CID 78941064
2-[1-(5-propan-2-yl-2-pyridinyl)piperidin-4-yl]ethanamine
CID 141263787
1-(6-morpholin-4-yl-3-pyridinyl)ethanol
CID 79886021

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-chloro-4-propan-2-ylphenyl)piperidin-4-yl]morpholine;4-[1-(2-fluoro-4-propan-2-ylphenyl)piperidin-4-yl]morpholine;1-(2-fluoro-4-propan-2-ylphenyl)-4-piperidin-1-ylpiperidine;2-(4-piperidin-1-ylpiperidin-1-yl)-5-propan-2-ylpyridine?
The IUPAC name of 4-[1-(2-chloro-4-propan-2-ylphenyl)piperidin-4-yl]morpholine;4-[1-(2-fluoro-4-propan-2-ylphenyl)piperidin-4-yl]morpholine;1-(2-fluoro-4-propan-2-ylphenyl)-4-piperidin-1-ylpiperidine;2-(4-piperidin-1-ylpiperidin-1-yl)-5-propan-2-ylpyridine (CID 161432667) is 4-[1-(2-chloro-4-propan-2-ylphenyl)piperidin-4-yl]morpholine;4-[1-(2-fluoro-4-propan-2-ylphenyl)piperidin-4-yl]morpholine;1-(2-fluoro-4-propan-2-ylphenyl)-4-piperidin-1-ylpiperidine;2-(4-piperidin-1-ylpiperidin-1-yl)-5-propan-2-ylpyridine.
What is the SMILES notation for 4-[1-(2-chloro-4-propan-2-ylphenyl)piperidin-4-yl]morpholine;4-[1-(2-fluoro-4-propan-2-ylphenyl)piperidin-4-yl]morpholine;1-(2-fluoro-4-propan-2-ylphenyl)-4-piperidin-1-ylpiperidine;2-(4-piperidin-1-ylpiperidin-1-yl)-5-propan-2-ylpyridine?
The canonical SMILES for 4-[1-(2-chloro-4-propan-2-ylphenyl)piperidin-4-yl]morpholine;4-[1-(2-fluoro-4-propan-2-ylphenyl)piperidin-4-yl]morpholine;1-(2-fluoro-4-propan-2-ylphenyl)-4-piperidin-1-ylpiperidine;2-(4-piperidin-1-ylpiperidin-1-yl)-5-propan-2-ylpyridine is CC(C)c1ccc(N2CCC(N3CCCCC3)CC2)c(F)c1.CC(C)c1ccc(N2CCC(N3CCCCC3)CC2)nc1.CC(C)c1ccc(N2CCC(N3CCOCC3)CC2)c(Cl)c1.CC(C)c1ccc(N2CCC(N3CCOCC3)CC2)c(F)c1.
What is the InChIKey of 4-[1-(2-chloro-4-propan-2-ylphenyl)piperidin-4-yl]morpholine;4-[1-(2-fluoro-4-propan-2-ylphenyl)piperidin-4-yl]morpholine;1-(2-fluoro-4-propan-2-ylphenyl)-4-piperidin-1-ylpiperidine;2-(4-piperidin-1-ylpiperidin-1-yl)-5-propan-2-ylpyridine?
The InChIKey is VYFNZOUFMDKGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2.C18H27ClN2O.C18H27FN2O.C18H29N3/c1-15(2)16-6-7-19(18(20)14-16)22-12-8-17(9-13-22)21-10-4-3-5-11-21;2*1-14(2)15-3-4-18(17(19)13-15)21-7-5-16(6-8-21)20-9-11-22-12-10-20;1-15(2)16-6-7-18(19-14-16)21-12-8-17(9-13-21)20-10-4-3-5-11-20/h6-7,14-15,17H,3-5,8-13H2,1-2H3;2*3-4,13-14,16H,5-12H2,1-2H3;6-7,14-15,17H,3-5,8-13H2,1-2H3.
What are the key properties of 4-[1-(2-chloro-4-propan-2-ylphenyl)piperidin-4-yl]morpholine;4-[1-(2-fluoro-4-propan-2-ylphenyl)piperidin-4-yl]morpholine;1-(2-fluoro-4-propan-2-ylphenyl)-4-piperidin-1-ylpiperidine;2-(4-piperidin-1-ylpiperidin-1-yl)-5-propan-2-ylpyridine?
4-[1-(2-chloro-4-propan-2-ylphenyl)piperidin-4-yl]morpholine;4-[1-(2-fluoro-4-propan-2-ylphenyl)piperidin-4-yl]morpholine;1-(2-fluoro-4-propan-2-ylphenyl)-4-piperidin-1-ylpiperidine;2-(4-piperidin-1-ylpiperidin-1-yl)-5-propan-2-ylpyridine has a molecular weight of 1221.21 g/mol, XLogP of 15.08, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-chloro-4-propan-2-ylphenyl)piperidin-4-yl]morpholine;4-[1-(2-fluoro-4-propan-2-ylphenyl)piperidin-4-yl]morpholine;1-(2-fluoro-4-propan-2-ylphenyl)-4-piperidin-1-ylpiperidine;2-(4-piperidin-1-ylpiperidin-1-yl)-5-propan-2-ylpyridine is sourced from PubChem (CID 161432667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).