1-[5-[4-(2-aminoethyl)phenyl]pyrimidin-2-yl]piperidin-3-ol

C17H22N4O — CID 167812769

IUPAC1-[5-[4-(2-aminoethyl)phenyl]pyrimidin-2-yl]piperidin-3-ol
SMILESNCCc1ccc(-c2cnc(N3CCCC(O)C3)nc2)cc1
InChIInChI=1S/C17H22N4O/c18-8-7-13-3-5-14(6-4-13)15-10-19-17(20-11-15)21-9-1-2-16(22)12-21/h3-6,10-11,16,22H,1-2,7-9,12,18H2
InChIKeyMPDAWSWZDLLZHN-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.61
Rot. Bonds4

About 1-[5-[4-(2-aminoethyl)phenyl]pyrimidin-2-yl]piperidin-3-ol

1-[5-[4-(2-aminoethyl)phenyl]pyrimidin-2-yl]piperidin-3-ol (PubChem CID 167812769) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[5-[4-(2-aminoethyl)phenyl]pyrimidin-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[5-[4-(2-aminoethyl)phenyl]pyrimidin-2-yl]piperidin-3-ol
PubChem CID167812769
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-[5-[4-(2-aminoethyl)phenyl]pyrimidin-2-yl]piperidin-3-ol
SMILESNCCc1ccc(-c2cnc(N3CCCC(O)C3)nc2)cc1
InChIInChI=1S/C17H22N4O/c18-8-7-13-3-5-14(6-4-13)15-10-19-17(20-11-15)21-9-1-2-16(22)12-21/h3-6,10-11,16,22H,1-2,7-9,12,18H2
InChIKeyMPDAWSWZDLLZHN-UHFFFAOYSA-N
XLogP1.61
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]piperidin-3-ol
CID 167796752
2-fluoro-5-[2-(3-hydroxypiperidin-1-yl)pyrimidin-5-yl]benzoic acid
CID 167853631
(E)-4-[4-[2-(3-hydroxypiperidin-1-yl)pyrimidin-5-yl]phenyl]but-3-enoic acid
CID 167774356
1-[5-[5-[2-(aminomethyl)-3-hydroxypropyl]-2-methoxyphenyl]pyrimidin-2-yl]piperidin-3-ol
CID 167744075
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085637
1-[5-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]pyrimidin-2-yl]piperidin-3-ol
CID 154765649
2-[2-(4-methylazepan-1-yl)pyrimidin-5-yl]ethanamine
CID 113388500
(3R)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-ol
CID 92567647
1-[4-(2-aminoethyl)phenyl]piperidin-4-ol
CID 83822441
(3S)-N-(4-butylphenyl)-1-[5-(4-fluorophenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085449
2-[4-[2-(3-hydroxypiperidin-1-yl)pyrimidin-5-yl]-3-methylphenoxy]acetic acid
CID 167943939
(3R)-N-[(4-chlorophenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085941

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(2-aminoethyl)phenyl]pyrimidin-2-yl]piperidin-3-ol?
The IUPAC name of 1-[5-[4-(2-aminoethyl)phenyl]pyrimidin-2-yl]piperidin-3-ol (CID 167812769) is 1-[5-[4-(2-aminoethyl)phenyl]pyrimidin-2-yl]piperidin-3-ol.
What is the SMILES notation for 1-[5-[4-(2-aminoethyl)phenyl]pyrimidin-2-yl]piperidin-3-ol?
The canonical SMILES for 1-[5-[4-(2-aminoethyl)phenyl]pyrimidin-2-yl]piperidin-3-ol is NCCc1ccc(-c2cnc(N3CCCC(O)C3)nc2)cc1.
What is the InChIKey of 1-[5-[4-(2-aminoethyl)phenyl]pyrimidin-2-yl]piperidin-3-ol?
The InChIKey is MPDAWSWZDLLZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c18-8-7-13-3-5-14(6-4-13)15-10-19-17(20-11-15)21-9-1-2-16(22)12-21/h3-6,10-11,16,22H,1-2,7-9,12,18H2.
What are the key properties of 1-[5-[4-(2-aminoethyl)phenyl]pyrimidin-2-yl]piperidin-3-ol?
1-[5-[4-(2-aminoethyl)phenyl]pyrimidin-2-yl]piperidin-3-ol has a molecular weight of 298.39 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(2-aminoethyl)phenyl]pyrimidin-2-yl]piperidin-3-ol is sourced from PubChem (CID 167812769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).