5-chloro-2-[4-[2-[2-(2-methyl-1-piperidin-4-ylpropoxy)ethyl]cyclopropyl]piperidin-1-yl]pyrimidine

C23H37ClN4O — CID 123172795

IUPAC5-chloro-2-[4-[2-[2-(2-methyl-1-piperidin-4-ylpropoxy)ethyl]cyclopropyl]piperidin-1-yl]pyrimidine
SMILESCC(C)C(OCCC1CC1C1CCN(c2ncc(Cl)cn2)CC1)C1CCNCC1
InChIInChI=1S/C23H37ClN4O/c1-16(2)22(18-3-8-25-9-4-18)29-12-7-19-13-21(19)17-5-10-28(11-6-17)23-26-14-20(24)15-27-23/h14-19,21-22,25H,3-13H2,1-2H3
InChIKeyVPJQFTDCTQAYNR-UHFFFAOYSA-N
MW421.03 g/mol
LogP4.41
Rot. Bonds8

About 5-chloro-2-[4-[2-[2-(2-methyl-1-piperidin-4-ylpropoxy)ethyl]cyclopropyl]piperidin-1-yl]pyrimidine

5-chloro-2-[4-[2-[2-(2-methyl-1-piperidin-4-ylpropoxy)ethyl]cyclopropyl]piperidin-1-yl]pyrimidine (PubChem CID 123172795) has the molecular formula C23H37ClN4O and a molecular weight of 421.03 g/mol. Its IUPAC name is 5-chloro-2-[4-[2-[2-(2-methyl-1-piperidin-4-ylpropoxy)ethyl]cyclopropyl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[4-[2-[2-(2-methyl-1-piperidin-4-ylpropoxy)ethyl]cyclopropyl]piperidin-1-yl]pyrimidine
PubChem CID123172795
Molecular FormulaC23H37ClN4O
Molecular Weight421.03 g/mol
Exact Mass420.27
IUPAC Name5-chloro-2-[4-[2-[2-(2-methyl-1-piperidin-4-ylpropoxy)ethyl]cyclopropyl]piperidin-1-yl]pyrimidine
SMILESCC(C)C(OCCC1CC1C1CCN(c2ncc(Cl)cn2)CC1)C1CCNCC1
InChIInChI=1S/C23H37ClN4O/c1-16(2)22(18-3-8-25-9-4-18)29-12-7-19-13-21(19)17-5-10-28(11-6-17)23-26-14-20(24)15-27-23/h14-19,21-22,25H,3-13H2,1-2H3
InChIKeyVPJQFTDCTQAYNR-UHFFFAOYSA-N
XLogP4.41
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.03
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-[4-[2-[2-[(1-propan-2-ylsulfanylpiperidin-4-yl)methoxy]ethyl]cyclopropyl]piperidin-1-yl]pyrimidine
CID 126694034
[(1R,2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methanol
CID 89484385
5-chloro-2-[4-[(1R,2S)-2-(2-pyridin-3-yloxyethyl)cyclopropyl]piperidin-1-yl]pyrimidine
CID 123460014
2-[(2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol
CID 126694308
2-[(1R,2S)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol
CID 124563475
1-[4-[2-[(1S,2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]piperidin-1-yl]-2-methylpropan-1-one
CID 71523293
4-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1,2-oxazole
CID 58128546
4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-6-methylpyrimidin-2-amine
CID 143879586
1-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]piperidin-1-yl]propan-1-one
CID 78097415
2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-5-methyl-1,3,4-oxadiazole
CID 58128541
5-chloro-2-[4-[2-[2-[[1-(3,3,3-trifluoropropylsulfinyl)piperidin-4-yl]methoxy]ethyl]cyclopropyl]piperidin-1-yl]pyrimidine
CID 126694219
5-chloro-2-[4-[(1R)-2-[2-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]methoxy]ethyl]cyclopropyl]piperidin-1-yl]pyrimidine
CID 149056100

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-[2-[2-(2-methyl-1-piperidin-4-ylpropoxy)ethyl]cyclopropyl]piperidin-1-yl]pyrimidine?
The IUPAC name of 5-chloro-2-[4-[2-[2-(2-methyl-1-piperidin-4-ylpropoxy)ethyl]cyclopropyl]piperidin-1-yl]pyrimidine (CID 123172795) is 5-chloro-2-[4-[2-[2-(2-methyl-1-piperidin-4-ylpropoxy)ethyl]cyclopropyl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-chloro-2-[4-[2-[2-(2-methyl-1-piperidin-4-ylpropoxy)ethyl]cyclopropyl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-chloro-2-[4-[2-[2-(2-methyl-1-piperidin-4-ylpropoxy)ethyl]cyclopropyl]piperidin-1-yl]pyrimidine is CC(C)C(OCCC1CC1C1CCN(c2ncc(Cl)cn2)CC1)C1CCNCC1.
What is the InChIKey of 5-chloro-2-[4-[2-[2-(2-methyl-1-piperidin-4-ylpropoxy)ethyl]cyclopropyl]piperidin-1-yl]pyrimidine?
The InChIKey is VPJQFTDCTQAYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37ClN4O/c1-16(2)22(18-3-8-25-9-4-18)29-12-7-19-13-21(19)17-5-10-28(11-6-17)23-26-14-20(24)15-27-23/h14-19,21-22,25H,3-13H2,1-2H3.
What are the key properties of 5-chloro-2-[4-[2-[2-(2-methyl-1-piperidin-4-ylpropoxy)ethyl]cyclopropyl]piperidin-1-yl]pyrimidine?
5-chloro-2-[4-[2-[2-(2-methyl-1-piperidin-4-ylpropoxy)ethyl]cyclopropyl]piperidin-1-yl]pyrimidine has a molecular weight of 421.03 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-[2-[2-(2-methyl-1-piperidin-4-ylpropoxy)ethyl]cyclopropyl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 123172795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).