(3S)-N-phenyl-1-pyrimidin-2-ylpiperidin-3-amine

C15H18N4 — CID 97226290

IUPAC(3S)-N-phenyl-1-pyrimidin-2-ylpiperidin-3-amine
SMILESc1ccc(N[C@H]2CCCN(c3ncccn3)C2)cc1
InChIInChI=1S/C15H18N4/c1-2-6-13(7-3-1)18-14-8-4-11-19(12-14)15-16-9-5-10-17-15/h1-3,5-7,9-10,14,18H,4,8,11-12H2/t14-/m0/s1
InChIKeyOHLSZRNVLGDTGV-AWEZNQCLSA-N
MW254.34 g/mol
LogP2.56
Rot. Bonds3

About (3S)-N-phenyl-1-pyrimidin-2-ylpiperidin-3-amine

(3S)-N-phenyl-1-pyrimidin-2-ylpiperidin-3-amine (PubChem CID 97226290) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is (3S)-N-phenyl-1-pyrimidin-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-phenyl-1-pyrimidin-2-ylpiperidin-3-amine
PubChem CID97226290
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name(3S)-N-phenyl-1-pyrimidin-2-ylpiperidin-3-amine
SMILESc1ccc(N[C@H]2CCCN(c3ncccn3)C2)cc1
InChIInChI=1S/C15H18N4/c1-2-6-13(7-3-1)18-14-8-4-11-19(12-14)15-16-9-5-10-17-15/h1-3,5-7,9-10,14,18H,4,8,11-12H2/t14-/m0/s1
InChIKeyOHLSZRNVLGDTGV-AWEZNQCLSA-N
XLogP2.56
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-1-pyrimidin-2-ylpiperidin-3-amine
CID 43728828
3-[(3S)-3-anilinopiperidin-1-yl]pyrazine-2-carbonitrile
CID 97082744
1-(3-nitro-2-pyridinyl)-N-phenylpiperidin-3-amine
CID 133363140
1-(2-methyl-1,2,4-triazol-3-yl)-N-phenylpiperidin-3-amine
CID 166212705
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
2-anilino-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 71939760
N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azepane-1-sulfonamide
CID 94639342
3-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)isoquinolin-1-amine
CID 154878532
6-(3-anilinopiperidin-1-yl)pyridine-2-carboxylic acid
CID 122054364
N-(1-pyrimidin-2-ylpiperidin-3-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43728865
(3S)-1-(6-morpholin-4-ylpyrimidin-4-yl)-N-phenylpiperidin-3-amine
CID 171084156
(3R)-1-[4-(cyclopropylmethoxy)-2-pyridinyl]-N-phenylpiperidin-3-amine
CID 97349084

Frequently Asked Questions

What is the IUPAC name of (3S)-N-phenyl-1-pyrimidin-2-ylpiperidin-3-amine?
The IUPAC name of (3S)-N-phenyl-1-pyrimidin-2-ylpiperidin-3-amine (CID 97226290) is (3S)-N-phenyl-1-pyrimidin-2-ylpiperidin-3-amine.
What is the SMILES notation for (3S)-N-phenyl-1-pyrimidin-2-ylpiperidin-3-amine?
The canonical SMILES for (3S)-N-phenyl-1-pyrimidin-2-ylpiperidin-3-amine is c1ccc(N[C@H]2CCCN(c3ncccn3)C2)cc1.
What is the InChIKey of (3S)-N-phenyl-1-pyrimidin-2-ylpiperidin-3-amine?
The InChIKey is OHLSZRNVLGDTGV-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18N4/c1-2-6-13(7-3-1)18-14-8-4-11-19(12-14)15-16-9-5-10-17-15/h1-3,5-7,9-10,14,18H,4,8,11-12H2/t14-/m0/s1.
What are the key properties of (3S)-N-phenyl-1-pyrimidin-2-ylpiperidin-3-amine?
(3S)-N-phenyl-1-pyrimidin-2-ylpiperidin-3-amine has a molecular weight of 254.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-phenyl-1-pyrimidin-2-ylpiperidin-3-amine is sourced from PubChem (CID 97226290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).