[(3S)-1-(4-aminopyrimidin-2-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol

C18H24N4O — CID 95208187

IUPAC[(3S)-1-(4-aminopyrimidin-2-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol
SMILESNc1ccnc(N2CCC[C@@](CO)(CCc3ccccc3)C2)n1
InChIInChI=1S/C18H24N4O/c19-16-8-11-20-17(21-16)22-12-4-9-18(13-22,14-23)10-7-15-5-2-1-3-6-15/h1-3,5-6,8,11,23H,4,7,9-10,12-14H2,(H2,19,20,21)/t18-/m1/s1
InChIKeyBKRPCNBMFGYXOM-GOSISDBHSA-N
MW312.42 g/mol
LogP2.27
Rot. Bonds5

About [(3S)-1-(4-aminopyrimidin-2-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol

[(3S)-1-(4-aminopyrimidin-2-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol (PubChem CID 95208187) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is [(3S)-1-(4-aminopyrimidin-2-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-(4-aminopyrimidin-2-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol
PubChem CID95208187
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name[(3S)-1-(4-aminopyrimidin-2-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol
SMILESNc1ccnc(N2CCC[C@@](CO)(CCc3ccccc3)C2)n1
InChIInChI=1S/C18H24N4O/c19-16-8-11-20-17(21-16)22-12-4-9-18(13-22,14-23)10-7-15-5-2-1-3-6-15/h1-3,5-6,8,11,23H,4,7,9-10,12-14H2,(H2,19,20,21)/t18-/m1/s1
InChIKeyBKRPCNBMFGYXOM-GOSISDBHSA-N
XLogP2.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-1-(4-aminopyrimidin-2-yl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol
CID 97156516
1-(4-aminopyrimidin-2-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylic acid
CID 56872755
[1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 56739220
[1-(2-aminopyrimidin-4-yl)-3-(2-phenoxyethyl)piperidin-3-yl]methanol
CID 56757600
2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carboxamide
CID 95228012
1-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]-2-pyrimidin-2-ylsulfanylethanone
CID 25303247
1-[3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]-2-pyrimidin-2-ylsulfanylethanone
CID 45220389
2-[(3S)-3-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine
CID 156550418
[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 56759598
(3R)-1-(4-aminopyrimidin-2-yl)-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylic acid
CID 95550282
[1-(2-phenylethyl)cyclobutyl]methanol
CID 58979662
1-(4-aminopyrimidin-2-yl)-4-methylazepan-4-ol
CID 107409005

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(4-aminopyrimidin-2-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-(4-aminopyrimidin-2-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol (CID 95208187) is [(3S)-1-(4-aminopyrimidin-2-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-(4-aminopyrimidin-2-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-(4-aminopyrimidin-2-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol is Nc1ccnc(N2CCC[C@@](CO)(CCc3ccccc3)C2)n1.
What is the InChIKey of [(3S)-1-(4-aminopyrimidin-2-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol?
The InChIKey is BKRPCNBMFGYXOM-GOSISDBHSA-N. The full InChI is InChI=1S/C18H24N4O/c19-16-8-11-20-17(21-16)22-12-4-9-18(13-22,14-23)10-7-15-5-2-1-3-6-15/h1-3,5-6,8,11,23H,4,7,9-10,12-14H2,(H2,19,20,21)/t18-/m1/s1.
What are the key properties of [(3S)-1-(4-aminopyrimidin-2-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol?
[(3S)-1-(4-aminopyrimidin-2-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol has a molecular weight of 312.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(4-aminopyrimidin-2-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 95208187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).