1-[(5-chloro-3-methoxy-2-propoxyphenyl)methyl]-4-cyclopropyl-2-methylpiperazine

C19H29ClN2O2 — CID 157017128

IUPAC1-[(5-chloro-3-methoxy-2-propoxyphenyl)methyl]-4-cyclopropyl-2-methylpiperazine
SMILESCCCOc1c(CN2CCN(C3CC3)CC2C)cc(Cl)cc1OC
InChIInChI=1S/C19H29ClN2O2/c1-4-9-24-19-15(10-16(20)11-18(19)23-3)13-21-7-8-22(12-14(21)2)17-5-6-17/h10-11,14,17H,4-9,12-13H2,1-3H3
InChIKeyYJIRXYKHMZEBAC-UHFFFAOYSA-N
MW352.91 g/mol
LogP3.81
Rot. Bonds7

About 1-[(5-chloro-3-methoxy-2-propoxyphenyl)methyl]-4-cyclopropyl-2-methylpiperazine

1-[(5-chloro-3-methoxy-2-propoxyphenyl)methyl]-4-cyclopropyl-2-methylpiperazine (PubChem CID 157017128) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is 1-[(5-chloro-3-methoxy-2-propoxyphenyl)methyl]-4-cyclopropyl-2-methylpiperazine.

Molecular Properties

Compound Name1-[(5-chloro-3-methoxy-2-propoxyphenyl)methyl]-4-cyclopropyl-2-methylpiperazine
PubChem CID157017128
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC Name1-[(5-chloro-3-methoxy-2-propoxyphenyl)methyl]-4-cyclopropyl-2-methylpiperazine
SMILESCCCOc1c(CN2CCN(C3CC3)CC2C)cc(Cl)cc1OC
InChIInChI=1S/C19H29ClN2O2/c1-4-9-24-19-15(10-16(20)11-18(19)23-3)13-21-7-8-22(12-14(21)2)17-5-6-17/h10-11,14,17H,4-9,12-13H2,1-3H3
InChIKeyYJIRXYKHMZEBAC-UHFFFAOYSA-N
XLogP3.81
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,8aS)-2-[(5-chloro-3-methoxy-2-propoxyphenyl)methyl]-3-methyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
CID 137342357
[4-[(5-chloro-3-methoxy-2-propoxyphenyl)methyl]-1,4-oxazepan-6-yl]methanol
CID 70785122
4-cyclopropyl-1-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpiperazine
CID 157019220
[(1S,5S,6R,7R)-3-[(5-chloro-3-methoxy-2-propoxyphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol
CID 155495203
1-(5-chloro-3-methoxy-2-propoxyphenyl)propan-2-amine
CID 104666968
5-chloro-3-methoxy-2-propoxybenzenethiol
CID 91874262
(2R)-1-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2-(ethoxymethyl)pyrrolidine
CID 99943979
(4S)-4-[[(5-chloro-3-methoxy-2-propoxyphenyl)methyl-methylamino]methyl]-1-methylpyrrolidin-2-one
CID 99950516
(1R,5S)-3-[(5-chloro-2,3-dimethoxyphenyl)methyl]-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 133127532
N-[(5-chloro-3-methoxy-2-propoxyphenyl)methyl]prop-2-yn-1-amine
CID 94074189
(5-chloro-3-methoxy-2-pentoxyphenyl)methanol
CID 113438830
1-(bromomethyl)-5-chloro-2-hexoxy-3-methoxybenzene
CID 113438868

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-3-methoxy-2-propoxyphenyl)methyl]-4-cyclopropyl-2-methylpiperazine?
The IUPAC name of 1-[(5-chloro-3-methoxy-2-propoxyphenyl)methyl]-4-cyclopropyl-2-methylpiperazine (CID 157017128) is 1-[(5-chloro-3-methoxy-2-propoxyphenyl)methyl]-4-cyclopropyl-2-methylpiperazine.
What is the SMILES notation for 1-[(5-chloro-3-methoxy-2-propoxyphenyl)methyl]-4-cyclopropyl-2-methylpiperazine?
The canonical SMILES for 1-[(5-chloro-3-methoxy-2-propoxyphenyl)methyl]-4-cyclopropyl-2-methylpiperazine is CCCOc1c(CN2CCN(C3CC3)CC2C)cc(Cl)cc1OC.
What is the InChIKey of 1-[(5-chloro-3-methoxy-2-propoxyphenyl)methyl]-4-cyclopropyl-2-methylpiperazine?
The InChIKey is YJIRXYKHMZEBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O2/c1-4-9-24-19-15(10-16(20)11-18(19)23-3)13-21-7-8-22(12-14(21)2)17-5-6-17/h10-11,14,17H,4-9,12-13H2,1-3H3.
What are the key properties of 1-[(5-chloro-3-methoxy-2-propoxyphenyl)methyl]-4-cyclopropyl-2-methylpiperazine?
1-[(5-chloro-3-methoxy-2-propoxyphenyl)methyl]-4-cyclopropyl-2-methylpiperazine has a molecular weight of 352.91 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-3-methoxy-2-propoxyphenyl)methyl]-4-cyclopropyl-2-methylpiperazine is sourced from PubChem (CID 157017128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).