2-[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]-N-methylethanamine

C17H28N2 — CID 115463747

IUPAC2-[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]-N-methylethanamine
SMILESCCC1CCCN(Cc2ccccc2CCNC)C1
InChIInChI=1S/C17H28N2/c1-3-15-7-6-12-19(13-15)14-17-9-5-4-8-16(17)10-11-18-2/h4-5,8-9,15,18H,3,6-7,10-14H2,1-2H3
InChIKeyKZXYRILAMKJJPP-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.07
Rot. Bonds6

About 2-[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]-N-methylethanamine

2-[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]-N-methylethanamine (PubChem CID 115463747) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]-N-methylethanamine
PubChem CID115463747
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]-N-methylethanamine
SMILESCCC1CCCN(Cc2ccccc2CCNC)C1
InChIInChI=1S/C17H28N2/c1-3-15-7-6-12-19(13-15)14-17-9-5-4-8-16(17)10-11-18-2/h4-5,8-9,15,18H,3,6-7,10-14H2,1-2H3
InChIKeyKZXYRILAMKJJPP-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62432875
2-[(3-ethylpyrrolidin-1-yl)methyl]phenol
CID 115884823
2-[(3-ethylpiperidin-1-yl)methyl]-6-fluorophenol
CID 112616106
2-[2-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]-N-methylethanamine
CID 115464149
2-[2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 115465497
N-[2-(3-ethylpiperidin-1-yl)ethyl]aniline
CID 60860775
N-[[1-[(2-methylphenyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 54793885
3-(bromomethyl)-1-[(2-bromophenyl)methyl]piperidine
CID 80679308
1-[2-[(3-ethylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
CID 62433787
2-[2-(azocan-1-ylmethyl)phenyl]-N-ethylethanamine
CID 115463559
(3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 129394219
1-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methylmethanamine
CID 61206348

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]-N-methylethanamine?
The IUPAC name of 2-[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]-N-methylethanamine (CID 115463747) is 2-[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]-N-methylethanamine?
The canonical SMILES for 2-[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]-N-methylethanamine is CCC1CCCN(Cc2ccccc2CCNC)C1.
What is the InChIKey of 2-[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]-N-methylethanamine?
The InChIKey is KZXYRILAMKJJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-15-7-6-12-19(13-15)14-17-9-5-4-8-16(17)10-11-18-2/h4-5,8-9,15,18H,3,6-7,10-14H2,1-2H3.
What are the key properties of 2-[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]-N-methylethanamine?
2-[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]-N-methylethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]-N-methylethanamine is sourced from PubChem (CID 115463747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).