N-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride

C23H36ClN3 — CID 162459944

IUPACN-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
SMILESCN(Cc1cn(CC2CCCCC2)c2ccccc12)CC1CCNCC1.Cl
InChIInChI=1S/C23H35N3.ClH/c1-25(15-20-11-13-24-14-12-20)17-21-18-26(16-19-7-3-2-4-8-19)23-10-6-5-9-22(21)23;/h5-6,9-10,18-20,24H,2-4,7-8,11-17H2,1H3;1H
InChIKeyFJXSNBALCNYDRN-UHFFFAOYSA-N
MW390.02 g/mol
LogP5.07
Rot. Bonds6

About N-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride

N-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride (PubChem CID 162459944) has the molecular formula C23H36ClN3 and a molecular weight of 390.02 g/mol. Its IUPAC name is N-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
PubChem CID162459944
Molecular FormulaC23H36ClN3
Molecular Weight390.02 g/mol
Exact Mass389.26
IUPAC NameN-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
SMILESCN(Cc1cn(CC2CCCCC2)c2ccccc12)CC1CCNCC1.Cl
InChIInChI=1S/C23H35N3.ClH/c1-25(15-20-11-13-24-14-12-20)17-21-18-26(16-19-7-3-2-4-8-19)23-10-6-5-9-22(21)23;/h5-6,9-10,18-20,24H,2-4,7-8,11-17H2,1H3;1H
InChIKeyFJXSNBALCNYDRN-UHFFFAOYSA-N
XLogP5.07
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.02
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylindol-3-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623834
N-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 142579605
1-[1-(cyclohexylmethyl)indol-3-yl]-6-piperidin-4-ylhexan-3-one;hydrochloride
CID 162111790
1-[1-(cyclopentylmethyl)indol-3-yl]propan-2-one
CID 115107167
N-methyl-N-[(1-methylindol-3-yl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 106602546
1-[1-(cyclopentylmethyl)indol-3-yl]-N-methylpropan-2-amine
CID 115107196
3-[(4-but-1-en-2-ylphenyl)methyl]-1-(piperidin-4-ylmethyl)indole
CID 144879890
N-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 61417528
N-[[1-(cyclohexylmethyl)-5-methylindol-3-yl]methyl]-1-piperidin-4-ylmethanamine
CID 158440647
2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile
CID 79716455
N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79702363
1-(cyclohexylmethyl)-3-[1-(3-methylphenyl)-4-piperidin-4-ylbutyl]indole
CID 158088466

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride?
The IUPAC name of N-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride (CID 162459944) is N-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride.
What is the SMILES notation for N-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride?
The canonical SMILES for N-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride is CN(Cc1cn(CC2CCCCC2)c2ccccc12)CC1CCNCC1.Cl.
What is the InChIKey of N-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride?
The InChIKey is FJXSNBALCNYDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3.ClH/c1-25(15-20-11-13-24-14-12-20)17-21-18-26(16-19-7-3-2-4-8-19)23-10-6-5-9-22(21)23;/h5-6,9-10,18-20,24H,2-4,7-8,11-17H2,1H3;1H.
What are the key properties of N-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride?
N-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride has a molecular weight of 390.02 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride is sourced from PubChem (CID 162459944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).