N-[[1-[[2-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine

C19H32N2O — CID 54794563

IUPACN-[[1-[[2-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(Cc2ccccc2OCC(C)C)CC1
InChIInChI=1S/C19H32N2O/c1-4-20-13-17-9-11-21(12-10-17)14-18-7-5-6-8-19(18)22-15-16(2)3/h5-8,16-17,20H,4,9-15H2,1-3H3
InChIKeyCJFINLVKZBNPSI-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.54
Rot. Bonds8

About N-[[1-[[2-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine

N-[[1-[[2-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine (PubChem CID 54794563) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is N-[[1-[[2-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[[2-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine
PubChem CID54794563
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC NameN-[[1-[[2-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(Cc2ccccc2OCC(C)C)CC1
InChIInChI=1S/C19H32N2O/c1-4-20-13-17-9-11-21(12-10-17)14-18-7-5-6-8-19(18)22-15-16(2)3/h5-8,16-17,20H,4,9-15H2,1-3H3
InChIKeyCJFINLVKZBNPSI-UHFFFAOYSA-N
XLogP3.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[[2-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine with MolForge

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Related Compounds

1-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]-4-[[2-(2-methylpropoxy)phenyl]methyl]piperazine
CID 95788805
(2S)-1-[4-[[(2-ethoxyphenyl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95273065
[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanamine
CID 54793651
N-[[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62512223
N-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928256
4-benzyl-1-[(2-ethoxyphenyl)methyl]piperidine;oxalic acid
CID 163328313
N-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 80550532
9-[[2-(2-methylpropoxy)phenyl]methyl]-3-(oxan-2-yl)-3,9-diazaspiro[5.5]undecane
CID 141117511
1-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethanol
CID 111113750
N-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62427121
methyl 1-[(2-ethoxyphenyl)methyl]piperidine-4-carboxylate
CID 60670101
1-[1-[[2-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanol
CID 110022688

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[2-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[[2-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine (CID 54794563) is N-[[1-[[2-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[[2-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[[2-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine is CCNCC1CCN(Cc2ccccc2OCC(C)C)CC1.
What is the InChIKey of N-[[1-[[2-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine?
The InChIKey is CJFINLVKZBNPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-4-20-13-17-9-11-21(12-10-17)14-18-7-5-6-8-19(18)22-15-16(2)3/h5-8,16-17,20H,4,9-15H2,1-3H3.
What are the key properties of N-[[1-[[2-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine?
N-[[1-[[2-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine has a molecular weight of 304.48 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[2-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 54794563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).