1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride

C13H21ClN2 — CID 17221614

IUPAC1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride
SMILESCc1ccc(CN2CCC(N)CC2)cc1.Cl
InChIInChI=1S/C13H20N2.ClH/c1-11-2-4-12(5-3-11)10-15-8-6-13(14)7-9-15;/h2-5,13H,6-10,14H2,1H3;1H
InChIKeyVQPWMLHHYYVKCU-UHFFFAOYSA-N
MW240.78 g/mol
LogP2.34
Rot. Bonds2

About 1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride

1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride (PubChem CID 17221614) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride
PubChem CID17221614
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC Name1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride
SMILESCc1ccc(CN2CCC(N)CC2)cc1.Cl
InChIInChI=1S/C13H20N2.ClH/c1-11-2-4-12(5-3-11)10-15-8-6-13(14)7-9-15;/h2-5,13H,6-10,14H2,1H3;1H
InChIKeyVQPWMLHHYYVKCU-UHFFFAOYSA-N
XLogP2.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1-[(4-methylphenyl)methyl]piperidine
CID 144879966
1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-amine;hydrochloride
CID 119907556
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 17221513
N-methyl-1-[(4-methylphenyl)methyl]piperidin-4-amine
CID 43315345
1-[(4-ethylsulfanylphenyl)methyl]piperidin-4-amine
CID 83727457
4-benzyl-1-[(4-methylphenyl)methyl]piperidine
CID 3498504
N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride
CID 118025180
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]acetohydrazide;hydrochloride
CID 17221700
3-ethyl-1-[(4-methylphenyl)methyl]pyrrolidine
CID 144719735
(3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905330
1-[(4-methylphenyl)methyl]azepane
CID 3951815
1-[[4-(2-methylphenoxy)phenyl]methyl]piperidin-4-amine
CID 39288925

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride?
The IUPAC name of 1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride (CID 17221614) is 1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride is Cc1ccc(CN2CCC(N)CC2)cc1.Cl.
What is the InChIKey of 1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride?
The InChIKey is VQPWMLHHYYVKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2.ClH/c1-11-2-4-12(5-3-11)10-15-8-6-13(14)7-9-15;/h2-5,13H,6-10,14H2,1H3;1H.
What are the key properties of 1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride?
1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride has a molecular weight of 240.78 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 17221614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).