1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-amine;hydrochloride

C16H27ClN2 — CID 119907556

IUPAC1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-amine;hydrochloride
SMILESCC(C)Cc1ccc(CN2CCC(N)CC2)cc1.Cl
InChIInChI=1S/C16H26N2.ClH/c1-13(2)11-14-3-5-15(6-4-14)12-18-9-7-16(17)8-10-18;/h3-6,13,16H,7-12,17H2,1-2H3;1H
InChIKeyLUHSKDWLACIFQB-UHFFFAOYSA-N
MW282.86 g/mol
LogP3.23
Rot. Bonds4

About 1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-amine;hydrochloride

1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-amine;hydrochloride (PubChem CID 119907556) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is 1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-amine;hydrochloride
PubChem CID119907556
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC Name1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-amine;hydrochloride
SMILESCC(C)Cc1ccc(CN2CCC(N)CC2)cc1.Cl
InChIInChI=1S/C16H26N2.ClH/c1-13(2)11-14-3-5-15(6-4-14)12-18-9-7-16(17)8-10-18;/h3-6,13,16H,7-12,17H2,1-2H3;1H
InChIKeyLUHSKDWLACIFQB-UHFFFAOYSA-N
XLogP3.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.86
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride
CID 17221614
1-[(4-ethylsulfanylphenyl)methyl]piperidin-4-amine
CID 83727457
N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride
CID 118025180
(3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905330
5-[(4-aminopiperidin-1-yl)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120834439
4-[amino-[4-(2-methylpropyl)phenyl]methyl]cyclohexan-1-amine
CID 116937134
1-[[4-(2-methylpropyl)phenyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 155207572
1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-amine
CID 43556713
1-[[4-(2-methylpropyl)phenyl]methyl]-4-phenylpiperazine
CID 174263891
1-[1-(4-chlorophenyl)propan-2-yl]piperidin-4-amine
CID 104973645
4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850
1-benzylpiperidin-4-amine;piperazine
CID 68641719

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-amine;hydrochloride?
The IUPAC name of 1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-amine;hydrochloride (CID 119907556) is 1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-amine;hydrochloride is CC(C)Cc1ccc(CN2CCC(N)CC2)cc1.Cl.
What is the InChIKey of 1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-amine;hydrochloride?
The InChIKey is LUHSKDWLACIFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2.ClH/c1-13(2)11-14-3-5-15(6-4-14)12-18-9-7-16(17)8-10-18;/h3-6,13,16H,7-12,17H2,1-2H3;1H.
What are the key properties of 1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-amine;hydrochloride?
1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-amine;hydrochloride has a molecular weight of 282.86 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 119907556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).