2-[(2R)-1-(1H-indol-5-ylmethyl)piperidin-2-yl]-N,N-dimethylethanamine

C18H27N3 — CID 95860953

IUPAC2-[(2R)-1-(1H-indol-5-ylmethyl)piperidin-2-yl]-N,N-dimethylethanamine
SMILESCN(C)CC[C@H]1CCCCN1Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C18H27N3/c1-20(2)12-9-17-5-3-4-11-21(17)14-15-6-7-18-16(13-15)8-10-19-18/h6-8,10,13,17,19H,3-5,9,11-12,14H2,1-2H3/t17-/m1/s1
InChIKeyCOEDSZUIQLVTSA-QGZVFWFLSA-N
MW285.44 g/mol
LogP3.47
Rot. Bonds5

About 2-[(2R)-1-(1H-indol-5-ylmethyl)piperidin-2-yl]-N,N-dimethylethanamine

2-[(2R)-1-(1H-indol-5-ylmethyl)piperidin-2-yl]-N,N-dimethylethanamine (PubChem CID 95860953) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2-[(2R)-1-(1H-indol-5-ylmethyl)piperidin-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(2R)-1-(1H-indol-5-ylmethyl)piperidin-2-yl]-N,N-dimethylethanamine
PubChem CID95860953
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name2-[(2R)-1-(1H-indol-5-ylmethyl)piperidin-2-yl]-N,N-dimethylethanamine
SMILESCN(C)CC[C@H]1CCCCN1Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C18H27N3/c1-20(2)12-9-17-5-3-4-11-21(17)14-15-6-7-18-16(13-15)8-10-19-18/h6-8,10,13,17,19H,3-5,9,11-12,14H2,1-2H3/t17-/m1/s1
InChIKeyCOEDSZUIQLVTSA-QGZVFWFLSA-N
XLogP3.47
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethylethanamine
CID 46977037
5-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-indole
CID 174724025
N,N-dimethyl-2-[(2R)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethanamine
CID 95874368
2-(2-bromoethyl)-1-[(3,4-dimethylphenyl)methyl]piperidine
CID 80670822
2-[(2R)-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethylethanamine
CID 95873253
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole
CID 127244845
(4aR,7aS)-4-(1H-indol-5-ylmethyl)-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70750115
5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-1H-indole
CID 56895741
1-[1-(1H-indol-5-ylmethyl)piperidin-3-yl]-2-phenylethanone
CID 56903614
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
3-[(2R)-1-benzylpiperidin-2-yl]propane-1-thiol
CID 97169944

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(1H-indol-5-ylmethyl)piperidin-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[(2R)-1-(1H-indol-5-ylmethyl)piperidin-2-yl]-N,N-dimethylethanamine (CID 95860953) is 2-[(2R)-1-(1H-indol-5-ylmethyl)piperidin-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(2R)-1-(1H-indol-5-ylmethyl)piperidin-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(2R)-1-(1H-indol-5-ylmethyl)piperidin-2-yl]-N,N-dimethylethanamine is CN(C)CC[C@H]1CCCCN1Cc1ccc2[nH]ccc2c1.
What is the InChIKey of 2-[(2R)-1-(1H-indol-5-ylmethyl)piperidin-2-yl]-N,N-dimethylethanamine?
The InChIKey is COEDSZUIQLVTSA-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H27N3/c1-20(2)12-9-17-5-3-4-11-21(17)14-15-6-7-18-16(13-15)8-10-19-18/h6-8,10,13,17,19H,3-5,9,11-12,14H2,1-2H3/t17-/m1/s1.
What are the key properties of 2-[(2R)-1-(1H-indol-5-ylmethyl)piperidin-2-yl]-N,N-dimethylethanamine?
2-[(2R)-1-(1H-indol-5-ylmethyl)piperidin-2-yl]-N,N-dimethylethanamine has a molecular weight of 285.44 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(1H-indol-5-ylmethyl)piperidin-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 95860953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).