1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperazine

C15H21ClN2O — CID 117450901

IUPAC1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperazine
SMILESClc1ccc(OCC2CC2)c(CN2CCNCC2)c1
InChIInChI=1S/C15H21ClN2O/c16-14-3-4-15(19-11-12-1-2-12)13(9-14)10-18-7-5-17-6-8-18/h3-4,9,12,17H,1-2,5-8,10-11H2
InChIKeyGPMQIIHGGVVNNQ-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.53
Rot. Bonds5

About 1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperazine

1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperazine (PubChem CID 117450901) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperazine
PubChem CID117450901
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperazine
SMILESClc1ccc(OCC2CC2)c(CN2CCNCC2)c1
InChIInChI=1S/C15H21ClN2O/c16-14-3-4-15(19-11-12-1-2-12)13(9-14)10-18-7-5-17-6-8-18/h3-4,9,12,17H,1-2,5-8,10-11H2
InChIKeyGPMQIIHGGVVNNQ-UHFFFAOYSA-N
XLogP2.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methylazanium
CID 177027719
1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperidin-3-amine;hydrochloride
CID 120834763
1-[[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]piperazine
CID 117495710
4-[(4-chloro-2-ethylphenoxy)methyl]piperidine;hydrochloride
CID 56830862
1-[1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120838415
2-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 120835879
1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1,4-diazepane
CID 43162436
(3S)-1-[(5-chloro-2-ethoxyphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 171624938
O-[2-[5-chloro-2-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine
CID 117356424
[5-chloro-2-(cyclopropylmethoxy)phenyl]methanesulfonyl chloride
CID 117475696
1-[(2-ethoxy-5-methylphenyl)methyl]piperazine
CID 82263437
4-[(4-chloro-2-ethylphenoxy)methyl]-1-methylpiperidine;ethane
CID 143666320

Frequently Asked Questions

What is the IUPAC name of 1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperazine?
The IUPAC name of 1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperazine (CID 117450901) is 1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperazine?
The canonical SMILES for 1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperazine is Clc1ccc(OCC2CC2)c(CN2CCNCC2)c1.
What is the InChIKey of 1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperazine?
The InChIKey is GPMQIIHGGVVNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c16-14-3-4-15(19-11-12-1-2-12)13(9-14)10-18-7-5-17-6-8-18/h3-4,9,12,17H,1-2,5-8,10-11H2.
What are the key properties of 1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperazine?
1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperazine has a molecular weight of 280.80 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperazine is sourced from PubChem (CID 117450901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).