(3S,4R)-3-butyl-1-naphthalen-2-ylpiperidin-4-amine

C19H26N2 — CID 11609419

IUPAC(3S,4R)-3-butyl-1-naphthalen-2-ylpiperidin-4-amine
SMILESCCCC[C@H]1CN(c2ccc3ccccc3c2)CC[C@H]1N
InChIInChI=1S/C19H26N2/c1-2-3-6-17-14-21(12-11-19(17)20)18-10-9-15-7-4-5-8-16(15)13-18/h4-5,7-10,13,17,19H,2-3,6,11-12,14,20H2,1H3/t17-,19+/m0/s1
InChIKeyLEZQUXKWZPJUPV-PKOBYXMFSA-N
MW282.43 g/mol
LogP4.18
Rot. Bonds4

About (3S,4R)-3-butyl-1-naphthalen-2-ylpiperidin-4-amine

(3S,4R)-3-butyl-1-naphthalen-2-ylpiperidin-4-amine (PubChem CID 11609419) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (3S,4R)-3-butyl-1-naphthalen-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name(3S,4R)-3-butyl-1-naphthalen-2-ylpiperidin-4-amine
PubChem CID11609419
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name(3S,4R)-3-butyl-1-naphthalen-2-ylpiperidin-4-amine
SMILESCCCC[C@H]1CN(c2ccc3ccccc3c2)CC[C@H]1N
InChIInChI=1S/C19H26N2/c1-2-3-6-17-14-21(12-11-19(17)20)18-10-9-15-7-4-5-8-16(15)13-18/h4-5,7-10,13,17,19H,2-3,6,11-12,14,20H2,1H3/t17-,19+/m0/s1
InChIKeyLEZQUXKWZPJUPV-PKOBYXMFSA-N
XLogP4.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-butyl-1-naphthalen-2-ylpiperidin-4-amine?
The IUPAC name of (3S,4R)-3-butyl-1-naphthalen-2-ylpiperidin-4-amine (CID 11609419) is (3S,4R)-3-butyl-1-naphthalen-2-ylpiperidin-4-amine.
What is the SMILES notation for (3S,4R)-3-butyl-1-naphthalen-2-ylpiperidin-4-amine?
The canonical SMILES for (3S,4R)-3-butyl-1-naphthalen-2-ylpiperidin-4-amine is CCCC[C@H]1CN(c2ccc3ccccc3c2)CC[C@H]1N.
What is the InChIKey of (3S,4R)-3-butyl-1-naphthalen-2-ylpiperidin-4-amine?
The InChIKey is LEZQUXKWZPJUPV-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H26N2/c1-2-3-6-17-14-21(12-11-19(17)20)18-10-9-15-7-4-5-8-16(15)13-18/h4-5,7-10,13,17,19H,2-3,6,11-12,14,20H2,1H3/t17-,19+/m0/s1.
What are the key properties of (3S,4R)-3-butyl-1-naphthalen-2-ylpiperidin-4-amine?
(3S,4R)-3-butyl-1-naphthalen-2-ylpiperidin-4-amine has a molecular weight of 282.43 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-butyl-1-naphthalen-2-ylpiperidin-4-amine is sourced from PubChem (CID 11609419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).