4-[(3R)-1-[(4-phenylmethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine

C23H26N4O — CID 100748585

IUPAC4-[(3R)-1-[(4-phenylmethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
SMILESNc1nccc([C@@H]2CCCN(Cc3ccc(OCc4ccccc4)cc3)C2)n1
InChIInChI=1S/C23H26N4O/c24-23-25-13-12-22(26-23)20-7-4-14-27(16-20)15-18-8-10-21(11-9-18)28-17-19-5-2-1-3-6-19/h1-3,5-6,8-13,20H,4,7,14-17H2,(H2,24,25,26)/t20-/m1/s1
InChIKeyBTEVLMCXJJGHCT-HXUWFJFHSA-N
MW374.49 g/mol
LogP4.02
Rot. Bonds6

About 4-[(3R)-1-[(4-phenylmethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine

4-[(3R)-1-[(4-phenylmethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine (PubChem CID 100748585) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-[(3R)-1-[(4-phenylmethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3R)-1-[(4-phenylmethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
PubChem CID100748585
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name4-[(3R)-1-[(4-phenylmethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
SMILESNc1nccc([C@@H]2CCCN(Cc3ccc(OCc4ccccc4)cc3)C2)n1
InChIInChI=1S/C23H26N4O/c24-23-25-13-12-22(26-23)20-7-4-14-27(16-20)15-18-8-10-21(11-9-18)28-17-19-5-2-1-3-6-19/h1-3,5-6,8-13,20H,4,7,14-17H2,(H2,24,25,26)/t20-/m1/s1
InChIKeyBTEVLMCXJJGHCT-HXUWFJFHSA-N
XLogP4.02
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-1-[(4-phenylmethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[(3R)-1-[(4-phenylmethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine (CID 100748585) is 4-[(3R)-1-[(4-phenylmethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[(3R)-1-[(4-phenylmethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[(3R)-1-[(4-phenylmethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine is Nc1nccc([C@@H]2CCCN(Cc3ccc(OCc4ccccc4)cc3)C2)n1.
What is the InChIKey of 4-[(3R)-1-[(4-phenylmethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is BTEVLMCXJJGHCT-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H26N4O/c24-23-25-13-12-22(26-23)20-7-4-14-27(16-20)15-18-8-10-21(11-9-18)28-17-19-5-2-1-3-6-19/h1-3,5-6,8-13,20H,4,7,14-17H2,(H2,24,25,26)/t20-/m1/s1.
What are the key properties of 4-[(3R)-1-[(4-phenylmethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine?
4-[(3R)-1-[(4-phenylmethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 374.49 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-1-[(4-phenylmethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 100748585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).