4-(4-chlorophenyl)-1-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-ol

C19H23ClN4O2 — CID 95128012

IUPAC4-(4-chlorophenyl)-1-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-ol
SMILESO[C@H]1CCN(c2ccnc(N3CCC(O)(c4ccc(Cl)cc4)CC3)n2)C1
InChIInChI=1S/C19H23ClN4O2/c20-15-3-1-14(2-4-15)19(26)7-11-23(12-8-19)18-21-9-5-17(22-18)24-10-6-16(25)13-24/h1-5,9,16,25-26H,6-8,10-13H2/t16-/m0/s1
InChIKeyQNXLQHRXNQIPRM-INIZCTEOSA-N
MW374.87 g/mol
LogP2.19
Rot. Bonds3

About 4-(4-chlorophenyl)-1-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-ol

4-(4-chlorophenyl)-1-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-ol (PubChem CID 95128012) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-ol
PubChem CID95128012
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name4-(4-chlorophenyl)-1-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-ol
SMILESO[C@H]1CCN(c2ccnc(N3CCC(O)(c4ccc(Cl)cc4)CC3)n2)C1
InChIInChI=1S/C19H23ClN4O2/c20-15-3-1-14(2-4-15)19(26)7-11-23(12-8-19)18-21-9-5-17(22-18)24-10-6-16(25)13-24/h1-5,9,16,25-26H,6-8,10-13H2/t16-/m0/s1
InChIKeyQNXLQHRXNQIPRM-INIZCTEOSA-N
XLogP2.19
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 50982280
1-(2-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 135107849
(3R)-1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 95137462
(3R)-1-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 95128882
1'-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 96579260
4-[4-[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazin-1-yl]benzoic acid
CID 135109084
4-ethyl-5-[1-[4-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 95209992
2-[4-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperazin-1-yl]-N-phenylacetamide
CID 95124915
(2R,4R)-9-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 154566077
1-[2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 56897191
4-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-4-methylpyrimidin-2-yl]piperidin-4-ol
CID 56693229
(3S)-1-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]pyrimidin-4-yl]piperidin-3-ol
CID 171359732

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-ol (CID 95128012) is 4-(4-chlorophenyl)-1-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-ol is O[C@H]1CCN(c2ccnc(N3CCC(O)(c4ccc(Cl)cc4)CC3)n2)C1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-ol?
The InChIKey is QNXLQHRXNQIPRM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c20-15-3-1-14(2-4-15)19(26)7-11-23(12-8-19)18-21-9-5-17(22-18)24-10-6-16(25)13-24/h1-5,9,16,25-26H,6-8,10-13H2/t16-/m0/s1.
What are the key properties of 4-(4-chlorophenyl)-1-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-ol?
4-(4-chlorophenyl)-1-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-ol has a molecular weight of 374.87 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-ol is sourced from PubChem (CID 95128012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).