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

C16H26N2 — CID 54794486

IUPACN-[[1-(2-phenylethyl)piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-2-17-13-16-9-6-11-18(14-16)12-10-15-7-4-3-5-8-15/h3-5,7-8,16-17H,2,6,9-14H2,1H3
InChIKeyXJNIIMWEZXPAMD-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.55
Rot. Bonds6

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

N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]ethanamine (PubChem CID 54794486) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-phenylethyl)piperidin-3-yl]methyl]ethanamine
PubChem CID54794486
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[[1-(2-phenylethyl)piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-2-17-13-16-9-6-11-18(14-16)12-10-15-7-4-3-5-8-15/h3-5,7-8,16-17H,2,6,9-14H2,1H3
InChIKeyXJNIIMWEZXPAMD-UHFFFAOYSA-N
XLogP2.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-pyridin-2-ylethyl)piperidin-3-yl]methyl]ethanamine
CID 63847232
4-ethyl-N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
CID 126426505
[(3R)-1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 7219815
[1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 6484148
N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]thiomorpholine-4-carboxamide
CID 126453520
N-benzyl-2-(3-ethylpiperidin-1-yl)ethanamine
CID 62560982
ethane;N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]aniline
CID 142099253
N-[[1-[(2-methylphenyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 54793885
N-[[1-(4-phenylbutyl)piperidin-4-yl]methyl]ethanamine
CID 114333870
N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine
CID 62581148
2-(methylamino)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 120704332
N-but-1-en-2-yl-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]aniline
CID 142167405

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]ethanamine (CID 54794486) is N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]ethanamine is CCNCC1CCCN(CCc2ccccc2)C1.
What is the InChIKey of N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]ethanamine?
The InChIKey is XJNIIMWEZXPAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-17-13-16-9-6-11-18(14-16)12-10-15-7-4-3-5-8-15/h3-5,7-8,16-17H,2,6,9-14H2,1H3.
What are the key properties of N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]ethanamine?
N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]ethanamine has a molecular weight of 246.40 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 54794486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).