N-[(1-ethylindol-3-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine

C18H27N3 — CID 106623834

IUPACN-[(1-ethylindol-3-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
SMILESCCn1cc(CN(C)CC2CCCNC2)c2ccccc21
InChIInChI=1S/C18H27N3/c1-3-21-14-16(17-8-4-5-9-18(17)21)13-20(2)12-15-7-6-10-19-11-15/h4-5,8-9,14-15,19H,3,6-7,10-13H2,1-2H3
InChIKeyZYCIIKNQJJMDSG-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.09
Rot. Bonds5

About N-[(1-ethylindol-3-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine

N-[(1-ethylindol-3-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine (PubChem CID 106623834) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[(1-ethylindol-3-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(1-ethylindol-3-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
PubChem CID106623834
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[(1-ethylindol-3-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
SMILESCCn1cc(CN(C)CC2CCCNC2)c2ccccc21
InChIInChI=1S/C18H27N3/c1-3-21-14-16(17-8-4-5-9-18(17)21)13-20(2)12-15-7-6-10-19-11-15/h4-5,8-9,14-15,19H,3,6-7,10-13H2,1-2H3
InChIKeyZYCIIKNQJJMDSG-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 162459944
N-methyl-N-[(1-methylindol-3-yl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 106602546
N-[(2,3-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815611
N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106636991
N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106636608
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120851649
N-[(5-chloroquinolin-8-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623813
N-[(2,6-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 113267788
N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120850156
N-[(3,5-dimethylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623795
N-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propan-1-amine;hydrochloride
CID 119931376
N-[(4-bromo-2-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 120849544

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylindol-3-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine?
The IUPAC name of N-[(1-ethylindol-3-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine (CID 106623834) is N-[(1-ethylindol-3-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine.
What is the SMILES notation for N-[(1-ethylindol-3-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine?
The canonical SMILES for N-[(1-ethylindol-3-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine is CCn1cc(CN(C)CC2CCCNC2)c2ccccc21.
What is the InChIKey of N-[(1-ethylindol-3-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine?
The InChIKey is ZYCIIKNQJJMDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-3-21-14-16(17-8-4-5-9-18(17)21)13-20(2)12-15-7-6-10-19-11-15/h4-5,8-9,14-15,19H,3,6-7,10-13H2,1-2H3.
What are the key properties of N-[(1-ethylindol-3-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine?
N-[(1-ethylindol-3-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine has a molecular weight of 285.44 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylindol-3-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine is sourced from PubChem (CID 106623834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).