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

C19H29Cl2N3 — CID 171278740

IUPAC3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride
SMILESCl.Cl.Cn1cc([C@H](C2CCCC2)N2CCNCC2)c2ccccc21
InChIInChI=1S/C19H27N3.2ClH/c1-21-14-17(16-8-4-5-9-18(16)21)19(15-6-2-3-7-15)22-12-10-20-11-13-22;;/h4-5,8-9,14-15,19-20H,2-3,6-7,10-13H2,1H3;2*1H/t19-;;/m0../s1
InChIKeyYZBJTIFGAKYDDC-TXEPZDRESA-N
MW370.37 g/mol
LogP4.16
Rot. Bonds3

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

3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride (PubChem CID 171278740) has the molecular formula C19H29Cl2N3 and a molecular weight of 370.37 g/mol. Its IUPAC name is 3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride.

Molecular Properties

Compound Name3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride
PubChem CID171278740
Molecular FormulaC19H29Cl2N3
Molecular Weight370.37 g/mol
Exact Mass369.17
IUPAC Name3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride
SMILESCl.Cl.Cn1cc([C@H](C2CCCC2)N2CCNCC2)c2ccccc21
InChIInChI=1S/C19H27N3.2ClH/c1-21-14-17(16-8-4-5-9-18(16)21)19(15-6-2-3-7-15)22-12-10-20-11-13-22;;/h4-5,8-9,14-15,19-20H,2-3,6-7,10-13H2,1H3;2*1H/t19-;;/m0../s1
InChIKeyYZBJTIFGAKYDDC-TXEPZDRESA-N
XLogP4.16
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(S)-cyclohexyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride
CID 171278742
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
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-methyl-3-[(1S)-2-methyl-1-piperazin-1-ylbutyl]indole;dihydrochloride
CID 171305371
1-[(R)-cyclopentyl-(2-ethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171288190
2-cyclopentyl-2-(1-methylindol-3-yl)ethanamine
CID 10633946
1-methyl-3-[(1S)-3-methyl-1-piperazin-1-ylbutyl]indole
CID 95487496

Frequently Asked Questions

What is the IUPAC name of 3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride?
The IUPAC name of 3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride (CID 171278740) is 3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride.
What is the SMILES notation for 3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride?
The canonical SMILES for 3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride is Cl.Cl.Cn1cc([C@H](C2CCCC2)N2CCNCC2)c2ccccc21.
What is the InChIKey of 3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride?
The InChIKey is YZBJTIFGAKYDDC-TXEPZDRESA-N. The full InChI is InChI=1S/C19H27N3.2ClH/c1-21-14-17(16-8-4-5-9-18(16)21)19(15-6-2-3-7-15)22-12-10-20-11-13-22;;/h4-5,8-9,14-15,19-20H,2-3,6-7,10-13H2,1H3;2*1H/t19-;;/m0../s1.
What are the key properties of 3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride?
3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride has a molecular weight of 370.37 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride is sourced from PubChem (CID 171278740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).