piperidin-4-yl-(2,3,4-trimethylphenyl)methanamine

C15H24N2 — CID 116935917

IUPACpiperidin-4-yl-(2,3,4-trimethylphenyl)methanamine
SMILESCc1ccc(C(N)C2CCNCC2)c(C)c1C
InChIInChI=1S/C15H24N2/c1-10-4-5-14(12(3)11(10)2)15(16)13-6-8-17-9-7-13/h4-5,13,15,17H,6-9,16H2,1-3H3
InChIKeyJZNYIFQABLQIFO-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.61
Rot. Bonds2

About piperidin-4-yl-(2,3,4-trimethylphenyl)methanamine

piperidin-4-yl-(2,3,4-trimethylphenyl)methanamine (PubChem CID 116935917) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is piperidin-4-yl-(2,3,4-trimethylphenyl)methanamine.

Molecular Properties

Compound Namepiperidin-4-yl-(2,3,4-trimethylphenyl)methanamine
PubChem CID116935917
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Namepiperidin-4-yl-(2,3,4-trimethylphenyl)methanamine
SMILESCc1ccc(C(N)C2CCNCC2)c(C)c1C
InChIInChI=1S/C15H24N2/c1-10-4-5-14(12(3)11(10)2)15(16)13-6-8-17-9-7-13/h4-5,13,15,17H,6-9,16H2,1-3H3
InChIKeyJZNYIFQABLQIFO-UHFFFAOYSA-N
XLogP2.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116936522
(R)-(4-methylnaphthalen-1-yl)-piperidin-4-ylmethanamine
CID 171314485
3-[amino-(2,3,4-trimethylphenyl)methyl]cyclobutan-1-amine
CID 116937424
(R)-(4-fluoro-2-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314219
2-[(R)-amino(piperidin-4-yl)methyl]-5-methylphenol
CID 171314608
(R)-cyclopropyl-(2,3-dimethylphenyl)methanamine
CID 55278882
(2-methoxy-4,5-dimethylphenyl)-piperidin-4-ylmethanamine
CID 82296681
N-methyl-2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116951835
(6-methyl-1,3-benzodioxol-5-yl)-piperidin-4-ylmethanamine
CID 116935914
(R)-(2-bromo-4-chlorophenyl)-piperidin-4-ylmethanamine
CID 171314303
(R)-(2,4-dimethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314189
(4-fluoro-2-methoxyphenyl)-piperidin-4-ylmethanamine
CID 70196823

Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl-(2,3,4-trimethylphenyl)methanamine?
The IUPAC name of piperidin-4-yl-(2,3,4-trimethylphenyl)methanamine (CID 116935917) is piperidin-4-yl-(2,3,4-trimethylphenyl)methanamine.
What is the SMILES notation for piperidin-4-yl-(2,3,4-trimethylphenyl)methanamine?
The canonical SMILES for piperidin-4-yl-(2,3,4-trimethylphenyl)methanamine is Cc1ccc(C(N)C2CCNCC2)c(C)c1C.
What is the InChIKey of piperidin-4-yl-(2,3,4-trimethylphenyl)methanamine?
The InChIKey is JZNYIFQABLQIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-10-4-5-14(12(3)11(10)2)15(16)13-6-8-17-9-7-13/h4-5,13,15,17H,6-9,16H2,1-3H3.
What are the key properties of piperidin-4-yl-(2,3,4-trimethylphenyl)methanamine?
piperidin-4-yl-(2,3,4-trimethylphenyl)methanamine has a molecular weight of 232.37 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl-(2,3,4-trimethylphenyl)methanamine is sourced from PubChem (CID 116935917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).