N-[[1-[(2-methylphenyl)methyl]piperidin-3-yl]methyl]ethanamine

C16H26N2 — CID 54793885

IUPACN-[[1-[(2-methylphenyl)methyl]piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(Cc2ccccc2C)C1
InChIInChI=1S/C16H26N2/c1-3-17-11-15-8-6-10-18(12-15)13-16-9-5-4-7-14(16)2/h4-5,7,9,15,17H,3,6,8,10-13H2,1-2H3
InChIKeyJUCRUSFSIGGCTD-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.82
Rot. Bonds5

About N-[[1-[(2-methylphenyl)methyl]piperidin-3-yl]methyl]ethanamine

N-[[1-[(2-methylphenyl)methyl]piperidin-3-yl]methyl]ethanamine (PubChem CID 54793885) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[[1-[(2-methylphenyl)methyl]piperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(2-methylphenyl)methyl]piperidin-3-yl]methyl]ethanamine
PubChem CID54793885
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[[1-[(2-methylphenyl)methyl]piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(Cc2ccccc2C)C1
InChIInChI=1S/C16H26N2/c1-3-17-11-15-8-6-10-18(12-15)13-16-9-5-4-7-14(16)2/h4-5,7,9,15,17H,3,6,8,10-13H2,1-2H3
InChIKeyJUCRUSFSIGGCTD-UHFFFAOYSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[3-(ethylaminomethyl)piperidin-1-yl]methyl]-2-fluorobenzonitrile
CID 107119960
N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 79267719
N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 54793865
N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]ethanamine
CID 54794486
N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]ethanamine
CID 54794504
N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]propan-1-amine
CID 62582034
N-[[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 102616382
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62438160
1-[(2-methylphenyl)methyl]piperidine-3-carbaldehyde
CID 62654379
N-[[1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 54794583
N-[[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 62581145
1-[(2-methylphenyl)methyl]-N-(2-methylpropyl)piperidin-3-amine
CID 83994261

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methylphenyl)methyl]piperidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(2-methylphenyl)methyl]piperidin-3-yl]methyl]ethanamine (CID 54793885) is N-[[1-[(2-methylphenyl)methyl]piperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(2-methylphenyl)methyl]piperidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(2-methylphenyl)methyl]piperidin-3-yl]methyl]ethanamine is CCNCC1CCCN(Cc2ccccc2C)C1.
What is the InChIKey of N-[[1-[(2-methylphenyl)methyl]piperidin-3-yl]methyl]ethanamine?
The InChIKey is JUCRUSFSIGGCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-17-11-15-8-6-10-18(12-15)13-16-9-5-4-7-14(16)2/h4-5,7,9,15,17H,3,6,8,10-13H2,1-2H3.
What are the key properties of N-[[1-[(2-methylphenyl)methyl]piperidin-3-yl]methyl]ethanamine?
N-[[1-[(2-methylphenyl)methyl]piperidin-3-yl]methyl]ethanamine has a molecular weight of 246.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methylphenyl)methyl]piperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 54793885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).