1-[6-(4-cyclopentyl-1,4-diazepan-1-yl)pyrimidin-4-yl]piperidin-4-ol

C19H31N5O — CID 72857650

IUPAC1-[6-(4-cyclopentyl-1,4-diazepan-1-yl)pyrimidin-4-yl]piperidin-4-ol
SMILESOC1CCN(c2cc(N3CCCN(C4CCCC4)CC3)ncn2)CC1
InChIInChI=1S/C19H31N5O/c25-17-6-10-24(11-7-17)19-14-18(20-15-21-19)23-9-3-8-22(12-13-23)16-4-1-2-5-16/h14-17,25H,1-13H2
InChIKeySPGFHUNPIQASFN-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.89
Rot. Bonds3

About 1-[6-(4-cyclopentyl-1,4-diazepan-1-yl)pyrimidin-4-yl]piperidin-4-ol

1-[6-(4-cyclopentyl-1,4-diazepan-1-yl)pyrimidin-4-yl]piperidin-4-ol (PubChem CID 72857650) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-[6-(4-cyclopentyl-1,4-diazepan-1-yl)pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-(4-cyclopentyl-1,4-diazepan-1-yl)pyrimidin-4-yl]piperidin-4-ol
PubChem CID72857650
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name1-[6-(4-cyclopentyl-1,4-diazepan-1-yl)pyrimidin-4-yl]piperidin-4-ol
SMILESOC1CCN(c2cc(N3CCCN(C4CCCC4)CC3)ncn2)CC1
InChIInChI=1S/C19H31N5O/c25-17-6-10-24(11-7-17)19-14-18(20-15-21-19)23-9-3-8-22(12-13-23)16-4-1-2-5-16/h14-17,25H,1-13H2
InChIKeySPGFHUNPIQASFN-UHFFFAOYSA-N
XLogP1.89
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-cyclopentyl-1,4-diazepan-1-yl)pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[6-(4-cyclopentyl-1,4-diazepan-1-yl)pyrimidin-4-yl]piperidin-4-ol (CID 72857650) is 1-[6-(4-cyclopentyl-1,4-diazepan-1-yl)pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[6-(4-cyclopentyl-1,4-diazepan-1-yl)pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[6-(4-cyclopentyl-1,4-diazepan-1-yl)pyrimidin-4-yl]piperidin-4-ol is OC1CCN(c2cc(N3CCCN(C4CCCC4)CC3)ncn2)CC1.
What is the InChIKey of 1-[6-(4-cyclopentyl-1,4-diazepan-1-yl)pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is SPGFHUNPIQASFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c25-17-6-10-24(11-7-17)19-14-18(20-15-21-19)23-9-3-8-22(12-13-23)16-4-1-2-5-16/h14-17,25H,1-13H2.
What are the key properties of 1-[6-(4-cyclopentyl-1,4-diazepan-1-yl)pyrimidin-4-yl]piperidin-4-ol?
1-[6-(4-cyclopentyl-1,4-diazepan-1-yl)pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 345.49 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-cyclopentyl-1,4-diazepan-1-yl)pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 72857650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).