(3R)-1-[[4-(2-methylpropyl)phenyl]methyl]-N-(oxan-4-yl)piperidin-3-amine

C21H34N2O — CID 92664819

IUPAC(3R)-1-[[4-(2-methylpropyl)phenyl]methyl]-N-(oxan-4-yl)piperidin-3-amine
SMILESCC(C)Cc1ccc(CN2CCC[C@@H](NC3CCOCC3)C2)cc1
InChIInChI=1S/C21H34N2O/c1-17(2)14-18-5-7-19(8-6-18)15-23-11-3-4-21(16-23)22-20-9-12-24-13-10-20/h5-8,17,20-22H,3-4,9-16H2,1-2H3/t21-/m1/s1
InChIKeyNNELRUWPWKKZIM-OAQYLSRUSA-N
MW330.52 g/mol
LogP3.62
Rot. Bonds6

About (3R)-1-[[4-(2-methylpropyl)phenyl]methyl]-N-(oxan-4-yl)piperidin-3-amine

(3R)-1-[[4-(2-methylpropyl)phenyl]methyl]-N-(oxan-4-yl)piperidin-3-amine (PubChem CID 92664819) has the molecular formula C21H34N2O and a molecular weight of 330.52 g/mol. Its IUPAC name is (3R)-1-[[4-(2-methylpropyl)phenyl]methyl]-N-(oxan-4-yl)piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[[4-(2-methylpropyl)phenyl]methyl]-N-(oxan-4-yl)piperidin-3-amine
PubChem CID92664819
Molecular FormulaC21H34N2O
Molecular Weight330.52 g/mol
Exact Mass330.27
IUPAC Name(3R)-1-[[4-(2-methylpropyl)phenyl]methyl]-N-(oxan-4-yl)piperidin-3-amine
SMILESCC(C)Cc1ccc(CN2CCC[C@@H](NC3CCOCC3)C2)cc1
InChIInChI=1S/C21H34N2O/c1-17(2)14-18-5-7-19(8-6-18)15-23-11-3-4-21(16-23)22-20-9-12-24-13-10-20/h5-8,17,20-22H,3-4,9-16H2,1-2H3/t21-/m1/s1
InChIKeyNNELRUWPWKKZIM-OAQYLSRUSA-N
XLogP3.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-[[4-(2-methylpropyl)phenyl]methyl]-N-(oxan-4-yl)piperidin-3-amine with MolForge

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Related Compounds

1-[(4-ethylphenyl)methyl]-N-(oxan-4-yl)piperidin-3-amine
CID 136559212
N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]oxane-4-carboxamide
CID 42244583
1-benzyl-N-(oxolan-3-yl)piperidin-3-amine
CID 64590674
N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 45215918
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]acetamide
CID 45170113
5-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-1,3-oxazole-4-carboxamide
CID 45215528
N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pent-4-enamide
CID 45236984
1-N,1-N-dimethyl-4-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]piperidine-1,4-dicarboxamide
CID 45243943
1-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)piperidin-3-amine
CID 83995651
N-[(3R)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-pyridin-3-ylpropanamide
CID 42517014
1-benzyl-N-(thian-4-yl)piperidin-3-amine
CID 60761750
N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyridine-3-sulfonamide
CID 56918189

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[4-(2-methylpropyl)phenyl]methyl]-N-(oxan-4-yl)piperidin-3-amine?
The IUPAC name of (3R)-1-[[4-(2-methylpropyl)phenyl]methyl]-N-(oxan-4-yl)piperidin-3-amine (CID 92664819) is (3R)-1-[[4-(2-methylpropyl)phenyl]methyl]-N-(oxan-4-yl)piperidin-3-amine.
What is the SMILES notation for (3R)-1-[[4-(2-methylpropyl)phenyl]methyl]-N-(oxan-4-yl)piperidin-3-amine?
The canonical SMILES for (3R)-1-[[4-(2-methylpropyl)phenyl]methyl]-N-(oxan-4-yl)piperidin-3-amine is CC(C)Cc1ccc(CN2CCC[C@@H](NC3CCOCC3)C2)cc1.
What is the InChIKey of (3R)-1-[[4-(2-methylpropyl)phenyl]methyl]-N-(oxan-4-yl)piperidin-3-amine?
The InChIKey is NNELRUWPWKKZIM-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H34N2O/c1-17(2)14-18-5-7-19(8-6-18)15-23-11-3-4-21(16-23)22-20-9-12-24-13-10-20/h5-8,17,20-22H,3-4,9-16H2,1-2H3/t21-/m1/s1.
What are the key properties of (3R)-1-[[4-(2-methylpropyl)phenyl]methyl]-N-(oxan-4-yl)piperidin-3-amine?
(3R)-1-[[4-(2-methylpropyl)phenyl]methyl]-N-(oxan-4-yl)piperidin-3-amine has a molecular weight of 330.52 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[4-(2-methylpropyl)phenyl]methyl]-N-(oxan-4-yl)piperidin-3-amine is sourced from PubChem (CID 92664819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).