(3S)-N-benzyl-1-cyclopropylpiperidin-3-amine

C15H22N2 — CID 95912398

IUPAC(3S)-N-benzyl-1-cyclopropylpiperidin-3-amine
SMILESc1ccc(CN[C@H]2CCCN(C3CC3)C2)cc1
InChIInChI=1S/C15H22N2/c1-2-5-13(6-3-1)11-16-14-7-4-10-17(12-14)15-8-9-15/h1-3,5-6,14-16H,4,7-12H2/t14-/m0/s1
InChIKeyGNXJLVRXQKSESS-AWEZNQCLSA-N
MW230.36 g/mol
LogP2.40
Rot. Bonds4

About (3S)-N-benzyl-1-cyclopropylpiperidin-3-amine

(3S)-N-benzyl-1-cyclopropylpiperidin-3-amine (PubChem CID 95912398) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is (3S)-N-benzyl-1-cyclopropylpiperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-benzyl-1-cyclopropylpiperidin-3-amine
PubChem CID95912398
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name(3S)-N-benzyl-1-cyclopropylpiperidin-3-amine
SMILESc1ccc(CN[C@H]2CCCN(C3CC3)C2)cc1
InChIInChI=1S/C15H22N2/c1-2-5-13(6-3-1)11-16-14-7-4-10-17(12-14)15-8-9-15/h1-3,5-6,14-16H,4,7-12H2/t14-/m0/s1
InChIKeyGNXJLVRXQKSESS-AWEZNQCLSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-benzyl-1-cyclopropylpiperidin-3-amine?
The IUPAC name of (3S)-N-benzyl-1-cyclopropylpiperidin-3-amine (CID 95912398) is (3S)-N-benzyl-1-cyclopropylpiperidin-3-amine.
What is the SMILES notation for (3S)-N-benzyl-1-cyclopropylpiperidin-3-amine?
The canonical SMILES for (3S)-N-benzyl-1-cyclopropylpiperidin-3-amine is c1ccc(CN[C@H]2CCCN(C3CC3)C2)cc1.
What is the InChIKey of (3S)-N-benzyl-1-cyclopropylpiperidin-3-amine?
The InChIKey is GNXJLVRXQKSESS-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-5-13(6-3-1)11-16-14-7-4-10-17(12-14)15-8-9-15/h1-3,5-6,14-16H,4,7-12H2/t14-/m0/s1.
What are the key properties of (3S)-N-benzyl-1-cyclopropylpiperidin-3-amine?
(3S)-N-benzyl-1-cyclopropylpiperidin-3-amine has a molecular weight of 230.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-benzyl-1-cyclopropylpiperidin-3-amine is sourced from PubChem (CID 95912398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).