(3R,4S)-N-benzyl-3-(2-methylprop-2-enoxy)piperidin-4-amine

C16H24N2O — CID 141335313

IUPAC(3R,4S)-N-benzyl-3-(2-methylprop-2-enoxy)piperidin-4-amine
SMILESC=C(C)CO[C@@H]1CNCC[C@@H]1NCc1ccccc1
InChIInChI=1S/C16H24N2O/c1-13(2)12-19-16-11-17-9-8-15(16)18-10-14-6-4-3-5-7-14/h3-7,15-18H,1,8-12H2,2H3/t15-,16+/m0/s1
InChIKeyRIILIYGCZCSGJT-JKSUJKDBSA-N
MW260.38 g/mol
LogP2.10
Rot. Bonds6

About (3R,4S)-N-benzyl-3-(2-methylprop-2-enoxy)piperidin-4-amine

(3R,4S)-N-benzyl-3-(2-methylprop-2-enoxy)piperidin-4-amine (PubChem CID 141335313) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (3R,4S)-N-benzyl-3-(2-methylprop-2-enoxy)piperidin-4-amine.

Molecular Properties

Compound Name(3R,4S)-N-benzyl-3-(2-methylprop-2-enoxy)piperidin-4-amine
PubChem CID141335313
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(3R,4S)-N-benzyl-3-(2-methylprop-2-enoxy)piperidin-4-amine
SMILESC=C(C)CO[C@@H]1CNCC[C@@H]1NCc1ccccc1
InChIInChI=1S/C16H24N2O/c1-13(2)12-19-16-11-17-9-8-15(16)18-10-14-6-4-3-5-7-14/h3-7,15-18H,1,8-12H2,2H3/t15-,16+/m0/s1
InChIKeyRIILIYGCZCSGJT-JKSUJKDBSA-N
XLogP2.10
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-benzyl-3-(2-methylprop-2-enoxy)piperidin-4-amine?
The IUPAC name of (3R,4S)-N-benzyl-3-(2-methylprop-2-enoxy)piperidin-4-amine (CID 141335313) is (3R,4S)-N-benzyl-3-(2-methylprop-2-enoxy)piperidin-4-amine.
What is the SMILES notation for (3R,4S)-N-benzyl-3-(2-methylprop-2-enoxy)piperidin-4-amine?
The canonical SMILES for (3R,4S)-N-benzyl-3-(2-methylprop-2-enoxy)piperidin-4-amine is C=C(C)CO[C@@H]1CNCC[C@@H]1NCc1ccccc1.
What is the InChIKey of (3R,4S)-N-benzyl-3-(2-methylprop-2-enoxy)piperidin-4-amine?
The InChIKey is RIILIYGCZCSGJT-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13(2)12-19-16-11-17-9-8-15(16)18-10-14-6-4-3-5-7-14/h3-7,15-18H,1,8-12H2,2H3/t15-,16+/m0/s1.
What are the key properties of (3R,4S)-N-benzyl-3-(2-methylprop-2-enoxy)piperidin-4-amine?
(3R,4S)-N-benzyl-3-(2-methylprop-2-enoxy)piperidin-4-amine has a molecular weight of 260.38 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-benzyl-3-(2-methylprop-2-enoxy)piperidin-4-amine is sourced from PubChem (CID 141335313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).