N-[[1-(phenylmethoxymethyl)piperidin-4-yl]methyl]ethanamine

C16H26N2O — CID 102940753

IUPACN-[[1-(phenylmethoxymethyl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(COCc2ccccc2)CC1
InChIInChI=1S/C16H26N2O/c1-2-17-12-15-8-10-18(11-9-15)14-19-13-16-6-4-3-5-7-16/h3-7,15,17H,2,8-14H2,1H3
InChIKeyXPVJGOUTCOSPHH-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.48
Rot. Bonds7

About N-[[1-(phenylmethoxymethyl)piperidin-4-yl]methyl]ethanamine

N-[[1-(phenylmethoxymethyl)piperidin-4-yl]methyl]ethanamine (PubChem CID 102940753) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[1-(phenylmethoxymethyl)piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(phenylmethoxymethyl)piperidin-4-yl]methyl]ethanamine
PubChem CID102940753
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[1-(phenylmethoxymethyl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(COCc2ccccc2)CC1
InChIInChI=1S/C16H26N2O/c1-2-17-12-15-8-10-18(11-9-15)14-19-13-16-6-4-3-5-7-16/h3-7,15,17H,2,8-14H2,1H3
InChIKeyXPVJGOUTCOSPHH-UHFFFAOYSA-N
XLogP2.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylmethoxyethanone;hydrochloride
CID 119646015
N-[[1-(4-phenylbutyl)piperidin-4-yl]methyl]ethanamine
CID 114333870
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylpropan-2-ol
CID 63847704
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927879
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone;hydrochloride
CID 119644698
[1-(phenylmethoxymethyl)piperidin-3-yl]methanol
CID 123481492
N-(cyclopropylmethyl)-2-phenylmethoxyethanamine
CID 62566316
N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methyl]ethanamine
CID 63772800
N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]ethanamine
CID 54794486
N-[[1-(2-phenylpropyl)pyrrolidin-3-yl]methyl]ethanamine
CID 113430223
[4-(ethylaminomethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119645905
N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119644723

Frequently Asked Questions

What is the IUPAC name of N-[[1-(phenylmethoxymethyl)piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(phenylmethoxymethyl)piperidin-4-yl]methyl]ethanamine (CID 102940753) is N-[[1-(phenylmethoxymethyl)piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(phenylmethoxymethyl)piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(phenylmethoxymethyl)piperidin-4-yl]methyl]ethanamine is CCNCC1CCN(COCc2ccccc2)CC1.
What is the InChIKey of N-[[1-(phenylmethoxymethyl)piperidin-4-yl]methyl]ethanamine?
The InChIKey is XPVJGOUTCOSPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-17-12-15-8-10-18(11-9-15)14-19-13-16-6-4-3-5-7-16/h3-7,15,17H,2,8-14H2,1H3.
What are the key properties of N-[[1-(phenylmethoxymethyl)piperidin-4-yl]methyl]ethanamine?
N-[[1-(phenylmethoxymethyl)piperidin-4-yl]methyl]ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(phenylmethoxymethyl)piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 102940753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).