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

C19H27ClN2 — CID 68686524

IUPAC(3R,4S)-3-butyl-1-naphthalen-2-ylpiperidin-4-amine;hydrochloride
SMILESCCCC[C@@H]1CN(c2ccc3ccccc3c2)CC[C@@H]1N.Cl
InChIInChI=1S/C19H26N2.ClH/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;1H/t17-,19+;/m1./s1
InChIKeyOYAZPHKMSWFSMT-ZFNKBKEPSA-N
MW318.89 g/mol
LogP4.61
Rot. Bonds4

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

(3R,4S)-3-butyl-1-naphthalen-2-ylpiperidin-4-amine;hydrochloride (PubChem CID 68686524) has the molecular formula C19H27ClN2 and a molecular weight of 318.89 g/mol. Its IUPAC name is (3R,4S)-3-butyl-1-naphthalen-2-ylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name(3R,4S)-3-butyl-1-naphthalen-2-ylpiperidin-4-amine;hydrochloride
PubChem CID68686524
Molecular FormulaC19H27ClN2
Molecular Weight318.89 g/mol
Exact Mass318.19
IUPAC Name(3R,4S)-3-butyl-1-naphthalen-2-ylpiperidin-4-amine;hydrochloride
SMILESCCCC[C@@H]1CN(c2ccc3ccccc3c2)CC[C@@H]1N.Cl
InChIInChI=1S/C19H26N2.ClH/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;1H/t17-,19+;/m1./s1
InChIKeyOYAZPHKMSWFSMT-ZFNKBKEPSA-N
XLogP4.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.89
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-butyl-1-naphthalen-2-ylpiperidin-4-amine;hydrochloride?
The IUPAC name of (3R,4S)-3-butyl-1-naphthalen-2-ylpiperidin-4-amine;hydrochloride (CID 68686524) is (3R,4S)-3-butyl-1-naphthalen-2-ylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for (3R,4S)-3-butyl-1-naphthalen-2-ylpiperidin-4-amine;hydrochloride?
The canonical SMILES for (3R,4S)-3-butyl-1-naphthalen-2-ylpiperidin-4-amine;hydrochloride is CCCC[C@@H]1CN(c2ccc3ccccc3c2)CC[C@@H]1N.Cl.
What is the InChIKey of (3R,4S)-3-butyl-1-naphthalen-2-ylpiperidin-4-amine;hydrochloride?
The InChIKey is OYAZPHKMSWFSMT-ZFNKBKEPSA-N. The full InChI is InChI=1S/C19H26N2.ClH/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;1H/t17-,19+;/m1./s1.
What are the key properties of (3R,4S)-3-butyl-1-naphthalen-2-ylpiperidin-4-amine;hydrochloride?
(3R,4S)-3-butyl-1-naphthalen-2-ylpiperidin-4-amine;hydrochloride has a molecular weight of 318.89 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-butyl-1-naphthalen-2-ylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 68686524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).