(3S)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-ol

C14H22N4O — CID 39801992

IUPAC(3S)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-ol
SMILESO[C@H]1CCCN(C2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C14H22N4O/c19-13-3-1-8-18(11-13)12-4-9-17(10-5-12)14-15-6-2-7-16-14/h2,6-7,12-13,19H,1,3-5,8-11H2/t13-/m0/s1
InChIKeyKHKPFVPDZLAANS-ZDUSSCGKSA-N
MW262.36 g/mol
LogP0.90
Rot. Bonds2

About (3S)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-ol

(3S)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-ol (PubChem CID 39801992) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is (3S)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-ol
PubChem CID39801992
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name(3S)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-ol
SMILESO[C@H]1CCCN(C2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C14H22N4O/c19-13-3-1-8-18(11-13)12-4-9-17(10-5-12)14-15-6-2-7-16-14/h2,6-7,12-13,19H,1,3-5,8-11H2/t13-/m0/s1
InChIKeyKHKPFVPDZLAANS-ZDUSSCGKSA-N
XLogP0.90
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-cyclopropyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 95551990
(3R)-1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-3-ol
CID 129385370
1-pyrimidin-2-yl-4-(thian-4-yl)-1,4-diazepan-6-ol
CID 86285738
(3S)-1-[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidin-3-ol
CID 97188302
1-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]piperidin-3-ol
CID 45252722
(3R)-1-cyclooctylpiperidin-3-ol
CID 129493857
1-[1-(2-chloro-5-ethylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-ol
CID 123375262
2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrimidine
CID 133396303
N-(pyridin-3-ylmethyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 56868752
N-cyclopentyl-4-[4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)piperidin-1-yl]benzamide
CID 42278079
[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(8-hydroxyquinolin-7-yl)methanone
CID 95709384
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 111561597

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-ol?
The IUPAC name of (3S)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-ol (CID 39801992) is (3S)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-ol.
What is the SMILES notation for (3S)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-ol?
The canonical SMILES for (3S)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-ol is O[C@H]1CCCN(C2CCN(c3ncccn3)CC2)C1.
What is the InChIKey of (3S)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-ol?
The InChIKey is KHKPFVPDZLAANS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22N4O/c19-13-3-1-8-18(11-13)12-4-9-17(10-5-12)14-15-6-2-7-16-14/h2,6-7,12-13,19H,1,3-5,8-11H2/t13-/m0/s1.
What are the key properties of (3S)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-ol?
(3S)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-ol has a molecular weight of 262.36 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-ol is sourced from PubChem (CID 39801992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).