(3R,4R)-4-amino-1-(2-methyl-1-phenylpropyl)piperidin-3-ol

C15H24N2O — CID 67305621

IUPAC(3R,4R)-4-amino-1-(2-methyl-1-phenylpropyl)piperidin-3-ol
SMILESCC(C)C(c1ccccc1)N1CC[C@@H](N)[C@H](O)C1
InChIInChI=1S/C15H24N2O/c1-11(2)15(12-6-4-3-5-7-12)17-9-8-13(16)14(18)10-17/h3-7,11,13-15,18H,8-10,16H2,1-2H3/t13-,14-,15?/m1/s1
InChIKeyAJBIQPQABDPGDB-GRKKQISMSA-N
MW248.37 g/mol
LogP1.78
Rot. Bonds3

About (3R,4R)-4-amino-1-(2-methyl-1-phenylpropyl)piperidin-3-ol

(3R,4R)-4-amino-1-(2-methyl-1-phenylpropyl)piperidin-3-ol (PubChem CID 67305621) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (3R,4R)-4-amino-1-(2-methyl-1-phenylpropyl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-amino-1-(2-methyl-1-phenylpropyl)piperidin-3-ol
PubChem CID67305621
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(3R,4R)-4-amino-1-(2-methyl-1-phenylpropyl)piperidin-3-ol
SMILESCC(C)C(c1ccccc1)N1CC[C@@H](N)[C@H](O)C1
InChIInChI=1S/C15H24N2O/c1-11(2)15(12-6-4-3-5-7-12)17-9-8-13(16)14(18)10-17/h3-7,11,13-15,18H,8-10,16H2,1-2H3/t13-,14-,15?/m1/s1
InChIKeyAJBIQPQABDPGDB-GRKKQISMSA-N
XLogP1.78
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-amino-1-(2-methyl-1-phenylpropyl)piperidin-3-ol?
The IUPAC name of (3R,4R)-4-amino-1-(2-methyl-1-phenylpropyl)piperidin-3-ol (CID 67305621) is (3R,4R)-4-amino-1-(2-methyl-1-phenylpropyl)piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-amino-1-(2-methyl-1-phenylpropyl)piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-amino-1-(2-methyl-1-phenylpropyl)piperidin-3-ol is CC(C)C(c1ccccc1)N1CC[C@@H](N)[C@H](O)C1.
What is the InChIKey of (3R,4R)-4-amino-1-(2-methyl-1-phenylpropyl)piperidin-3-ol?
The InChIKey is AJBIQPQABDPGDB-GRKKQISMSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)15(12-6-4-3-5-7-12)17-9-8-13(16)14(18)10-17/h3-7,11,13-15,18H,8-10,16H2,1-2H3/t13-,14-,15?/m1/s1.
What are the key properties of (3R,4R)-4-amino-1-(2-methyl-1-phenylpropyl)piperidin-3-ol?
(3R,4R)-4-amino-1-(2-methyl-1-phenylpropyl)piperidin-3-ol has a molecular weight of 248.37 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-amino-1-(2-methyl-1-phenylpropyl)piperidin-3-ol is sourced from PubChem (CID 67305621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).