N-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine

C18H27N3 — CID 80550532

IUPACN-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(Cc2cn(C)c3ccccc23)CC1
InChIInChI=1S/C18H27N3/c1-3-19-12-15-8-10-21(11-9-15)14-16-13-20(2)18-7-5-4-6-17(16)18/h4-7,13,15,19H,3,8-12,14H2,1-2H3
InChIKeyFFIFDBRVWIYQKK-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.00
Rot. Bonds5

About N-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine

N-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine (PubChem CID 80550532) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine
PubChem CID80550532
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(Cc2cn(C)c3ccccc23)CC1
InChIInChI=1S/C18H27N3/c1-3-19-12-15-8-10-21(11-9-15)14-16-13-20(2)18-7-5-4-6-17(16)18/h4-7,13,15,19H,3,8-12,14H2,1-2H3
InChIKeyFFIFDBRVWIYQKK-UHFFFAOYSA-N
XLogP3.00
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine with MolForge

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Related Compounds

N-methyl-1-[1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 63263270
1-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 63597240
1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine
CID 55030033
1-methyl-3-[[(3S)-3-phenylpyrrolidin-1-yl]methyl]indole
CID 162743380
4-[(1-methylindol-3-yl)methyl]morpholine
CID 15496284
N-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928256
N-[[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 80550988
N-[1-(4-ethylphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide
CID 53036166
N-[(1S)-1-(4-ethylphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide
CID 95056572
N-[[1-[[2-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine
CID 54794563
1-[2-(1-methylindol-3-yl)ethyl]piperidin-4-amine;hydrate
CID 21128537
N-[[1-[(2-bromo-5-chlorophenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 80551575

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine (CID 80550532) is N-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine is CCNCC1CCN(Cc2cn(C)c3ccccc23)CC1.
What is the InChIKey of N-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine?
The InChIKey is FFIFDBRVWIYQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-3-19-12-15-8-10-21(11-9-15)14-16-13-20(2)18-7-5-4-6-17(16)18/h4-7,13,15,19H,3,8-12,14H2,1-2H3.
What are the key properties of N-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine?
N-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine has a molecular weight of 285.44 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 80550532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).