(3R)-1-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]piperidin-3-ol

C16H27N5O — CID 95208997

IUPAC(3R)-1-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]piperidin-3-ol
SMILESCc1nc(CN)cc(N2CCC(N3CCC[C@@H](O)C3)CC2)n1
InChIInChI=1S/C16H27N5O/c1-12-18-13(10-17)9-16(19-12)20-7-4-14(5-8-20)21-6-2-3-15(22)11-21/h9,14-15,22H,2-8,10-11,17H2,1H3/t15-/m1/s1
InChIKeyKKOXNRZUKOEKQB-OAHLLOKOSA-N
MW305.43 g/mol
LogP0.67
Rot. Bonds3

About (3R)-1-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]piperidin-3-ol

(3R)-1-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]piperidin-3-ol (PubChem CID 95208997) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is (3R)-1-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]piperidin-3-ol
PubChem CID95208997
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name(3R)-1-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]piperidin-3-ol
SMILESCc1nc(CN)cc(N2CCC(N3CCC[C@@H](O)C3)CC2)n1
InChIInChI=1S/C16H27N5O/c1-12-18-13(10-17)9-16(19-12)20-7-4-14(5-8-20)21-6-2-3-15(22)11-21/h9,14-15,22H,2-8,10-11,17H2,1H3/t15-/m1/s1
InChIKeyKKOXNRZUKOEKQB-OAHLLOKOSA-N
XLogP0.67
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-1-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]piperidin-3-ol with MolForge

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Related Compounds

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1-[1-(2-chloro-5-ethylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-ol
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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]piperidin-3-ol?
The IUPAC name of (3R)-1-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]piperidin-3-ol (CID 95208997) is (3R)-1-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]piperidin-3-ol is Cc1nc(CN)cc(N2CCC(N3CCC[C@@H](O)C3)CC2)n1.
What is the InChIKey of (3R)-1-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]piperidin-3-ol?
The InChIKey is KKOXNRZUKOEKQB-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H27N5O/c1-12-18-13(10-17)9-16(19-12)20-7-4-14(5-8-20)21-6-2-3-15(22)11-21/h9,14-15,22H,2-8,10-11,17H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-1-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]piperidin-3-ol?
(3R)-1-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]piperidin-3-ol has a molecular weight of 305.43 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 95208997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).