1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propyl]-4-methylpiperazine

C15H21ClN6 — CID 170863355

IUPAC1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propyl]-4-methylpiperazine
SMILESCN1CCN(CCCc2cc(Cl)ccc2-n2cnnn2)CC1
InChIInChI=1S/C15H21ClN6/c1-20-7-9-21(10-8-20)6-2-3-13-11-14(16)4-5-15(13)22-12-17-18-19-22/h4-5,11-12H,2-3,6-10H2,1H3
InChIKeyIULBAWJJMLUCNX-UHFFFAOYSA-N
MW320.83 g/mol
LogP1.50
Rot. Bonds5

About 1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propyl]-4-methylpiperazine

1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propyl]-4-methylpiperazine (PubChem CID 170863355) has the molecular formula C15H21ClN6 and a molecular weight of 320.83 g/mol. Its IUPAC name is 1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propyl]-4-methylpiperazine
PubChem CID170863355
Molecular FormulaC15H21ClN6
Molecular Weight320.83 g/mol
Exact Mass320.15
IUPAC Name1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propyl]-4-methylpiperazine
SMILESCN1CCN(CCCc2cc(Cl)ccc2-n2cnnn2)CC1
InChIInChI=1S/C15H21ClN6/c1-20-7-9-21(10-8-20)6-2-3-13-11-14(16)4-5-15(13)22-12-17-18-19-22/h4-5,11-12H,2-3,6-10H2,1H3
InChIKeyIULBAWJJMLUCNX-UHFFFAOYSA-N
XLogP1.50
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.83
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[4-chloro-2-(trifluoromethyl)phenyl]propyl]-4-methylpiperazine
CID 170862929
(4S)-4-amino-1-[5-chloro-2-(tetrazol-1-yl)phenyl]pentan-3-one
CID 157144853
acetic acid;[5-chloro-2-(tetrazol-1-yl)phenyl]methanamine
CID 68844112
tert-butyl (2S)-2-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoyl]azetidine-1-carboxylate
CID 160702453
2-bromo-4-chloro-6-[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862555
(2,5-dioxopyrrolidin-1-yl) 3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoate
CID 163619946
(2S,3R)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-methylpyrrolidine-2-carboxamide
CID 90881973
1-(5-chloro-2-methylphenyl)tetrazole
CID 11586443
N-[(5-chloro-2-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 115761559
1-[3-(3,5-dichloro-2-ethoxyphenyl)propyl]-4-methylpiperazine
CID 170863805
tert-butyl N-[1-[4-chloro-2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]piperidin-3-yl]carbamate
CID 170864069
4-methyl-2,6-bis[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862381

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propyl]-4-methylpiperazine (CID 170863355) is 1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propyl]-4-methylpiperazine is CN1CCN(CCCc2cc(Cl)ccc2-n2cnnn2)CC1.
What is the InChIKey of 1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propyl]-4-methylpiperazine?
The InChIKey is IULBAWJJMLUCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN6/c1-20-7-9-21(10-8-20)6-2-3-13-11-14(16)4-5-15(13)22-12-17-18-19-22/h4-5,11-12H,2-3,6-10H2,1H3.
What are the key properties of 1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propyl]-4-methylpiperazine?
1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propyl]-4-methylpiperazine has a molecular weight of 320.83 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propyl]-4-methylpiperazine is sourced from PubChem (CID 170863355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).