N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine

C16H26N2 — CID 62438160

IUPACN-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1CN1CCCC(C)C1
InChIInChI=1S/C16H26N2/c1-3-17-11-15-8-4-5-9-16(15)13-18-10-6-7-14(2)12-18/h4-5,8-9,14,17H,3,6-7,10-13H2,1-2H3
InChIKeyDAGADCYLRNARJZ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.03
Rot. Bonds5

About N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine

N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine (PubChem CID 62438160) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
PubChem CID62438160
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1CN1CCCC(C)C1
InChIInChI=1S/C16H26N2/c1-3-17-11-15-8-4-5-9-16(15)13-18-10-6-7-14(2)12-18/h4-5,8-9,14,17H,3,6-7,10-13H2,1-2H3
InChIKeyDAGADCYLRNARJZ-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 55069877
N-[[2-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 79184325
1-[(2-bromophenyl)methyl]-3-methylpiperidine
CID 60644748
(3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine
CID 42550070
1-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 119845563
4-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzene-1,4-dicarboxamide
CID 60556119
4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide
CID 120564544
1-ethyl-2-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-prop-2-ynylguanidine
CID 111849934
2-ethylsulfonyl-N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]benzamide
CID 52610752
4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride
CID 120564543
N-[[1-[(2-methylphenyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 54793885
2-(4-acetamidophenyl)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947424

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine (CID 62438160) is N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine is CCNCc1ccccc1CN1CCCC(C)C1.
What is the InChIKey of N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine?
The InChIKey is DAGADCYLRNARJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-17-11-15-8-4-5-9-16(15)13-18-10-6-7-14(2)12-18/h4-5,8-9,14,17H,3,6-7,10-13H2,1-2H3.
What are the key properties of N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine?
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 62438160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).