2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine

C15H24N2 — CID 17221513

IUPAC2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
SMILESCc1ccc(CN2CCC(CCN)CC2)cc1
InChIInChI=1S/C15H24N2/c1-13-2-4-15(5-3-13)12-17-10-7-14(6-9-16)8-11-17/h2-5,14H,6-12,16H2,1H3
InChIKeyMEGUKILBMYBGJU-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.56
Rot. Bonds4

About 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine

2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine (PubChem CID 17221513) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
PubChem CID17221513
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
SMILESCc1ccc(CN2CCC(CCN)CC2)cc1
InChIInChI=1S/C15H24N2/c1-13-2-4-15(5-3-13)12-17-10-7-14(6-9-16)8-11-17/h2-5,14H,6-12,16H2,1H3
InChIKeyMEGUKILBMYBGJU-UHFFFAOYSA-N
XLogP2.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 106817832
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine
CID 15044920
2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
CID 17221509
4-ethyl-1-[(4-methylphenyl)methyl]piperidine
CID 144879966
1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride
CID 17221614
2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 106864116
4-benzyl-1-[(4-methylphenyl)methyl]piperidine
CID 3498504
3-ethyl-1-[(4-methylphenyl)methyl]pyrrolidine
CID 144719735
N-methyl-1-[(4-methylphenyl)methyl]piperidin-4-amine
CID 43315345
2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 114802511
2,2,2-trifluoro-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 83983209
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]acetohydrazide;hydrochloride
CID 17221700

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine?
The IUPAC name of 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine (CID 17221513) is 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine is Cc1ccc(CN2CCC(CCN)CC2)cc1.
What is the InChIKey of 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine?
The InChIKey is MEGUKILBMYBGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-13-2-4-15(5-3-13)12-17-10-7-14(6-9-16)8-11-17/h2-5,14H,6-12,16H2,1H3.
What are the key properties of 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine?
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine has a molecular weight of 232.37 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 17221513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).