(3R)-1-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperidin-3-ol

C21H35N3O2 — CID 99955193

IUPAC(3R)-1-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperidin-3-ol
SMILESCCN1CCN(CCOc2ccc(CN3CCC[C@@](C)(O)C3)cc2)CC1
InChIInChI=1S/C21H35N3O2/c1-3-22-11-13-23(14-12-22)15-16-26-20-7-5-19(6-8-20)17-24-10-4-9-21(2,25)18-24/h5-8,25H,3-4,9-18H2,1-2H3/t21-/m1/s1
InChIKeyVXDKDHXKMJSCCR-OAQYLSRUSA-N
MW361.53 g/mol
LogP2.05
Rot. Bonds7

About (3R)-1-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperidin-3-ol

(3R)-1-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperidin-3-ol (PubChem CID 99955193) has the molecular formula C21H35N3O2 and a molecular weight of 361.53 g/mol. Its IUPAC name is (3R)-1-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperidin-3-ol
PubChem CID99955193
Molecular FormulaC21H35N3O2
Molecular Weight361.53 g/mol
Exact Mass361.27
IUPAC Name(3R)-1-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperidin-3-ol
SMILESCCN1CCN(CCOc2ccc(CN3CCC[C@@](C)(O)C3)cc2)CC1
InChIInChI=1S/C21H35N3O2/c1-3-22-11-13-23(14-12-22)15-16-26-20-7-5-19(6-8-20)17-24-10-4-9-21(2,25)18-24/h5-8,25H,3-4,9-18H2,1-2H3/t21-/m1/s1
InChIKeyVXDKDHXKMJSCCR-OAQYLSRUSA-N
XLogP2.05
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperidin-3-ol with MolForge

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Related Compounds

3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol
CID 115873813
1-[2-(4-chlorophenoxy)ethyl]-4-methylazepan-4-ol
CID 107407990
4-[2-(4-hydroxy-4-methylazepan-1-yl)ethoxy]benzonitrile
CID 107404531
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
2-[4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperazin-1-yl]ethanol
CID 110888313
3-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-ol
CID 115874101
3-methyl-1-(pyridin-4-ylmethyl)piperidin-3-ol
CID 70987405
[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 10751471
1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-3-ol
CID 115873746
1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperazine
CID 60644690
1-ethyl-4-[2-(4-iodophenoxy)ethyl]piperazine
CID 1300408

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperidin-3-ol?
The IUPAC name of (3R)-1-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperidin-3-ol (CID 99955193) is (3R)-1-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperidin-3-ol.
What is the SMILES notation for (3R)-1-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperidin-3-ol?
The canonical SMILES for (3R)-1-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperidin-3-ol is CCN1CCN(CCOc2ccc(CN3CCC[C@@](C)(O)C3)cc2)CC1.
What is the InChIKey of (3R)-1-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperidin-3-ol?
The InChIKey is VXDKDHXKMJSCCR-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H35N3O2/c1-3-22-11-13-23(14-12-22)15-16-26-20-7-5-19(6-8-20)17-24-10-4-9-21(2,25)18-24/h5-8,25H,3-4,9-18H2,1-2H3/t21-/m1/s1.
What are the key properties of (3R)-1-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperidin-3-ol?
(3R)-1-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperidin-3-ol has a molecular weight of 361.53 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperidin-3-ol is sourced from PubChem (CID 99955193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).