N-benzhydryl-N-(2-piperidin-1-ylethyl)propan-2-amine;hydrochloride

C23H33ClN2 — CID 117066717

IUPACN-benzhydryl-N-(2-piperidin-1-ylethyl)propan-2-amine;hydrochloride
SMILESCC(C)N(CCN1CCCCC1)C(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C23H32N2.ClH/c1-20(2)25(19-18-24-16-10-5-11-17-24)23(21-12-6-3-7-13-21)22-14-8-4-9-15-22;/h3-4,6-9,12-15,20,23H,5,10-11,16-19H2,1-2H3;1H
InChIKeyIKIDSEBSKUNSCF-UHFFFAOYSA-N
MW372.98 g/mol
LogP5.39
Rot. Bonds7

About N-benzhydryl-N-(2-piperidin-1-ylethyl)propan-2-amine;hydrochloride

N-benzhydryl-N-(2-piperidin-1-ylethyl)propan-2-amine;hydrochloride (PubChem CID 117066717) has the molecular formula C23H33ClN2 and a molecular weight of 372.98 g/mol. Its IUPAC name is N-benzhydryl-N-(2-piperidin-1-ylethyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-benzhydryl-N-(2-piperidin-1-ylethyl)propan-2-amine;hydrochloride
PubChem CID117066717
Molecular FormulaC23H33ClN2
Molecular Weight372.98 g/mol
Exact Mass372.23
IUPAC NameN-benzhydryl-N-(2-piperidin-1-ylethyl)propan-2-amine;hydrochloride
SMILESCC(C)N(CCN1CCCCC1)C(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C23H32N2.ClH/c1-20(2)25(19-18-24-16-10-5-11-17-24)23(21-12-6-3-7-13-21)22-14-8-4-9-15-22;/h3-4,6-9,12-15,20,23H,5,10-11,16-19H2,1-2H3;1H
InChIKeyIKIDSEBSKUNSCF-UHFFFAOYSA-N
XLogP5.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.98
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 54600904
N-phenyl-N-(2-piperidin-1-ylethyl)aniline
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1-(3-chloro-3-phenylpropyl)piperidine;hydrochloride
CID 67656037
N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
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2-(azepan-1-yl)-N-benzyl-N-methylethanamine
CID 54806241
1-[2-[(2S)-2-phenylpropoxy]ethyl]piperidine
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CID 87749404

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-N-(2-piperidin-1-ylethyl)propan-2-amine;hydrochloride?
The IUPAC name of N-benzhydryl-N-(2-piperidin-1-ylethyl)propan-2-amine;hydrochloride (CID 117066717) is N-benzhydryl-N-(2-piperidin-1-ylethyl)propan-2-amine;hydrochloride.
What is the SMILES notation for N-benzhydryl-N-(2-piperidin-1-ylethyl)propan-2-amine;hydrochloride?
The canonical SMILES for N-benzhydryl-N-(2-piperidin-1-ylethyl)propan-2-amine;hydrochloride is CC(C)N(CCN1CCCCC1)C(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of N-benzhydryl-N-(2-piperidin-1-ylethyl)propan-2-amine;hydrochloride?
The InChIKey is IKIDSEBSKUNSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2.ClH/c1-20(2)25(19-18-24-16-10-5-11-17-24)23(21-12-6-3-7-13-21)22-14-8-4-9-15-22;/h3-4,6-9,12-15,20,23H,5,10-11,16-19H2,1-2H3;1H.
What are the key properties of N-benzhydryl-N-(2-piperidin-1-ylethyl)propan-2-amine;hydrochloride?
N-benzhydryl-N-(2-piperidin-1-ylethyl)propan-2-amine;hydrochloride has a molecular weight of 372.98 g/mol, XLogP of 5.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-N-(2-piperidin-1-ylethyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 117066717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).