N-[[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine

C18H27N3 — CID 80550988

IUPACN-[[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(Cc2c(C)[nH]c3ccccc23)CC1
InChIInChI=1S/C18H27N3/c1-3-19-12-15-8-10-21(11-9-15)13-17-14(2)20-18-7-5-4-6-16(17)18/h4-7,15,19-20H,3,8-13H2,1-2H3
InChIKeyMXGSPZROCRAZLB-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.30
Rot. Bonds5

About N-[[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine

N-[[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine (PubChem CID 80550988) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine
PubChem CID80550988
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(Cc2c(C)[nH]c3ccccc23)CC1
InChIInChI=1S/C18H27N3/c1-3-19-12-15-8-10-21(11-9-15)13-17-14(2)20-18-7-5-4-6-16(17)18/h4-7,15,19-20H,3,8-13H2,1-2H3
InChIKeyMXGSPZROCRAZLB-UHFFFAOYSA-N
XLogP3.30
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(cyclopropylmethyl)-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylate
CID 42567257
1-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 65066079
N-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 80550532
4-ethoxy-3,5-dimethyl-N-[[1-[(2-phenyl-1H-indol-3-yl)methyl]piperidin-4-yl]methyl]benzenesulfonamide
CID 130227758
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49089233
N-ethyl-3-(2-methyl-1H-indol-3-yl)propan-1-amine
CID 96658400
N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 54793664
N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 79266938
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927879
(2-methoxyphenyl)-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]methanone
CID 110397387
1-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 110397400
2-(2-methyl-1H-indol-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxoacetamide
CID 47093388

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine (CID 80550988) is N-[[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine is CCNCC1CCN(Cc2c(C)[nH]c3ccccc23)CC1.
What is the InChIKey of N-[[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine?
The InChIKey is MXGSPZROCRAZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-3-19-12-15-8-10-21(11-9-15)13-17-14(2)20-18-7-5-4-6-16(17)18/h4-7,15,19-20H,3,8-13H2,1-2H3.
What are the key properties of N-[[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine?
N-[[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine has a molecular weight of 285.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 80550988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).