1-[3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propyl]-4-methylpiperazine

C19H29ClN2O — CID 170863792

IUPAC1-[3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propyl]-4-methylpiperazine
SMILESCc1cc(Cl)c(OCC2CC2)c(CCCN2CCN(C)CC2)c1
InChIInChI=1S/C19H29ClN2O/c1-15-12-17(4-3-7-22-10-8-21(2)9-11-22)19(18(20)13-15)23-14-16-5-6-16/h12-13,16H,3-11,14H2,1-2H3
InChIKeyFWSCXZJHDCRMJU-UHFFFAOYSA-N
MW336.91 g/mol
LogP3.62
Rot. Bonds7

About 1-[3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propyl]-4-methylpiperazine

1-[3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propyl]-4-methylpiperazine (PubChem CID 170863792) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is 1-[3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propyl]-4-methylpiperazine
PubChem CID170863792
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC Name1-[3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propyl]-4-methylpiperazine
SMILESCc1cc(Cl)c(OCC2CC2)c(CCCN2CCN(C)CC2)c1
InChIInChI=1S/C19H29ClN2O/c1-15-12-17(4-3-7-22-10-8-21(2)9-11-22)19(18(20)13-15)23-14-16-5-6-16/h12-13,16H,3-11,14H2,1-2H3
InChIKeyFWSCXZJHDCRMJU-UHFFFAOYSA-N
XLogP3.62
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3-chloro-2-ethoxy-5-methylphenyl)propyl]-4-methylpiperazine
CID 170863796
1-[3-(3-chloro-5-methyl-2-propoxyphenyl)propyl]-4-methylpiperazine
CID 170863787
1-[3-(3,5-dichloro-2-ethoxyphenyl)propyl]-4-methylpiperazine
CID 170863805
3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid
CID 117425357
1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propan-2-amine
CID 117387846
4-methyl-2,6-bis[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862381
1-[3-[4-(cyclopropylmethoxy)-3-propylphenyl]propyl]-4-methylpiperazine
CID 170863803
3,5-dichloro-4-[(1-methylpiperidin-4-yl)methoxy]phenol
CID 59205675
1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]ethanone
CID 84700906
1-[3-(2,6-dimethoxy-4-methylphenyl)propyl]-4-methylpiperazine
CID 170862913
1-[3-[4-(cyclopropylmethoxy)-3-phenylphenyl]propyl]-4-methylpiperazine
CID 170863809
2-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]piperidine
CID 117449166

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propyl]-4-methylpiperazine (CID 170863792) is 1-[3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propyl]-4-methylpiperazine is Cc1cc(Cl)c(OCC2CC2)c(CCCN2CCN(C)CC2)c1.
What is the InChIKey of 1-[3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propyl]-4-methylpiperazine?
The InChIKey is FWSCXZJHDCRMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O/c1-15-12-17(4-3-7-22-10-8-21(2)9-11-22)19(18(20)13-15)23-14-16-5-6-16/h12-13,16H,3-11,14H2,1-2H3.
What are the key properties of 1-[3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propyl]-4-methylpiperazine?
1-[3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propyl]-4-methylpiperazine has a molecular weight of 336.91 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propyl]-4-methylpiperazine is sourced from PubChem (CID 170863792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).