4-phenyl-1-piperidin-1-ylbutan-1-amine;dihydrochloride

C15H26Cl2N2 — CID 67607516

IUPAC4-phenyl-1-piperidin-1-ylbutan-1-amine;dihydrochloride
SMILESCl.Cl.NC(CCCc1ccccc1)N1CCCCC1
InChIInChI=1S/C15H24N2.2ClH/c16-15(17-12-5-2-6-13-17)11-7-10-14-8-3-1-4-9-14;;/h1,3-4,8-9,15H,2,5-7,10-13,16H2;2*1H
InChIKeyOZIBIKIPYGKXGG-UHFFFAOYSA-N
MW305.29 g/mol
LogP3.62
Rot. Bonds5

About 4-phenyl-1-piperidin-1-ylbutan-1-amine;dihydrochloride

4-phenyl-1-piperidin-1-ylbutan-1-amine;dihydrochloride (PubChem CID 67607516) has the molecular formula C15H26Cl2N2 and a molecular weight of 305.29 g/mol. Its IUPAC name is 4-phenyl-1-piperidin-1-ylbutan-1-amine;dihydrochloride.

Molecular Properties

Compound Name4-phenyl-1-piperidin-1-ylbutan-1-amine;dihydrochloride
PubChem CID67607516
Molecular FormulaC15H26Cl2N2
Molecular Weight305.29 g/mol
Exact Mass304.15
IUPAC Name4-phenyl-1-piperidin-1-ylbutan-1-amine;dihydrochloride
SMILESCl.Cl.NC(CCCc1ccccc1)N1CCCCC1
InChIInChI=1S/C15H24N2.2ClH/c16-15(17-12-5-2-6-13-17)11-7-10-14-8-3-1-4-9-14;;/h1,3-4,8-9,15H,2,5-7,10-13,16H2;2*1H
InChIKeyOZIBIKIPYGKXGG-UHFFFAOYSA-N
XLogP3.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-diphenyl-1-piperidin-1-ylpentan-1-amine
CID 56991990
1-(azocan-1-yl)-4-phenylbutan-2-amine
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1-(11-phenylundecyl)piperidine;hydrochloride
CID 173446957
4-phenyl-1-pyrrolidin-1-ylbutan-2-amine
CID 114929475
1-(1-phenoxy-3-phenylpropyl)piperidine
CID 57051930
(1R)-1,4-diphenylbutan-1-amine
CID 7131342
4-(3-phenyl-1-piperidin-1-ylpropyl)cyclohexan-1-one
CID 66756268
1-(1-amino-4-phenylbutyl)-N,N-dimethylcyclohexan-1-amine
CID 79066143
3-amino-3-[4-(3-phenylpropyl)piperazin-1-yl]propanal
CID 100932421
7-phenylheptane-1,4-diamine
CID 174860311
(2S)-2-amino-5-phenylpentane-1-thiol
CID 87877101
(2R)-2-amino-5-phenylpentan-1-ol
CID 20677771

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-piperidin-1-ylbutan-1-amine;dihydrochloride?
The IUPAC name of 4-phenyl-1-piperidin-1-ylbutan-1-amine;dihydrochloride (CID 67607516) is 4-phenyl-1-piperidin-1-ylbutan-1-amine;dihydrochloride.
What is the SMILES notation for 4-phenyl-1-piperidin-1-ylbutan-1-amine;dihydrochloride?
The canonical SMILES for 4-phenyl-1-piperidin-1-ylbutan-1-amine;dihydrochloride is Cl.Cl.NC(CCCc1ccccc1)N1CCCCC1.
What is the InChIKey of 4-phenyl-1-piperidin-1-ylbutan-1-amine;dihydrochloride?
The InChIKey is OZIBIKIPYGKXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2.2ClH/c16-15(17-12-5-2-6-13-17)11-7-10-14-8-3-1-4-9-14;;/h1,3-4,8-9,15H,2,5-7,10-13,16H2;2*1H.
What are the key properties of 4-phenyl-1-piperidin-1-ylbutan-1-amine;dihydrochloride?
4-phenyl-1-piperidin-1-ylbutan-1-amine;dihydrochloride has a molecular weight of 305.29 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-piperidin-1-ylbutan-1-amine;dihydrochloride is sourced from PubChem (CID 67607516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).