3-[(S)-cyclohexyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride

C20H31Cl2N3 — CID 171278742

IUPAC3-[(S)-cyclohexyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride
SMILESCl.Cl.Cn1cc([C@H](C2CCCCC2)N2CCNCC2)c2ccccc21
InChIInChI=1S/C20H29N3.2ClH/c1-22-15-18(17-9-5-6-10-19(17)22)20(16-7-3-2-4-8-16)23-13-11-21-12-14-23;;/h5-6,9-10,15-16,20-21H,2-4,7-8,11-14H2,1H3;2*1H/t20-;;/m0../s1
InChIKeyRICQFBXBVFEBBO-FJSYBICCSA-N
MW384.40 g/mol
LogP4.55
Rot. Bonds3

About 3-[(S)-cyclohexyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride

3-[(S)-cyclohexyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride (PubChem CID 171278742) has the molecular formula C20H31Cl2N3 and a molecular weight of 384.40 g/mol. Its IUPAC name is 3-[(S)-cyclohexyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride.

Molecular Properties

Compound Name3-[(S)-cyclohexyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride
PubChem CID171278742
Molecular FormulaC20H31Cl2N3
Molecular Weight384.40 g/mol
Exact Mass383.19
IUPAC Name3-[(S)-cyclohexyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride
SMILESCl.Cl.Cn1cc([C@H](C2CCCCC2)N2CCNCC2)c2ccccc21
InChIInChI=1S/C20H29N3.2ClH/c1-22-15-18(17-9-5-6-10-19(17)22)20(16-7-3-2-4-8-16)23-13-11-21-12-14-23;;/h5-6,9-10,15-16,20-21H,2-4,7-8,11-14H2,1H3;2*1H/t20-;;/m0../s1
InChIKeyRICQFBXBVFEBBO-FJSYBICCSA-N
XLogP4.55
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride
CID 171278740
3-[(S)-cyclohexyl(piperazin-1-yl)methyl]-1-methylindole
CID 171278741
3-[(S)-cyclopropyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride
CID 171278738
1-methyl-3-[(R)-oxan-4-yl(piperazin-1-yl)methyl]indole
CID 171291370
1-[(S)-cyclopentyl-(2-methylphenyl)methyl]piperazine
CID 171280314
1-[(S)-cyclohexyl-(2,3-dimethylphenyl)methyl]piperazine;dihydrochloride
CID 171275812
1-[(S)-cyclohexyl-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171166606
3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride
CID 171285009
4-[(R)-cyclobutyl(piperazin-1-yl)methyl]naphthalen-1-ol;dihydrochloride
CID 171292394
1-[(S)-anthracen-9-yl(cyclopentyl)methyl]piperazine;dihydrochloride
CID 171272083
1-[(R)-cyclopentyl-(2-ethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171288190
1-[(R)-(2-tert-butylsulfanylphenyl)-cyclohexylmethyl]piperazine
CID 171295895

Frequently Asked Questions

What is the IUPAC name of 3-[(S)-cyclohexyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride?
The IUPAC name of 3-[(S)-cyclohexyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride (CID 171278742) is 3-[(S)-cyclohexyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride.
What is the SMILES notation for 3-[(S)-cyclohexyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride?
The canonical SMILES for 3-[(S)-cyclohexyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride is Cl.Cl.Cn1cc([C@H](C2CCCCC2)N2CCNCC2)c2ccccc21.
What is the InChIKey of 3-[(S)-cyclohexyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride?
The InChIKey is RICQFBXBVFEBBO-FJSYBICCSA-N. The full InChI is InChI=1S/C20H29N3.2ClH/c1-22-15-18(17-9-5-6-10-19(17)22)20(16-7-3-2-4-8-16)23-13-11-21-12-14-23;;/h5-6,9-10,15-16,20-21H,2-4,7-8,11-14H2,1H3;2*1H/t20-;;/m0../s1.
What are the key properties of 3-[(S)-cyclohexyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride?
3-[(S)-cyclohexyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride has a molecular weight of 384.40 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-cyclohexyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride is sourced from PubChem (CID 171278742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).