1-[(R)-cyclopropyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride

C15H24Cl2N2O — CID 171286716

IUPAC1-[(R)-cyclopropyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride
SMILESCOc1cccc([C@@H](C2CC2)N2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C15H22N2O.2ClH/c1-18-14-4-2-3-13(11-14)15(12-5-6-12)17-9-7-16-8-10-17;;/h2-4,11-12,15-16H,5-10H2,1H3;2*1H/t15-;;/m1../s1
InChIKeyRTGGAENCFFQRLU-QCUBGVIVSA-N
MW319.28 g/mol
LogP2.90
Rot. Bonds4

About 1-[(R)-cyclopropyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride

1-[(R)-cyclopropyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride (PubChem CID 171286716) has the molecular formula C15H24Cl2N2O and a molecular weight of 319.28 g/mol. Its IUPAC name is 1-[(R)-cyclopropyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-cyclopropyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride
PubChem CID171286716
Molecular FormulaC15H24Cl2N2O
Molecular Weight319.28 g/mol
Exact Mass318.13
IUPAC Name1-[(R)-cyclopropyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride
SMILESCOc1cccc([C@@H](C2CC2)N2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C15H22N2O.2ClH/c1-18-14-4-2-3-13(11-14)15(12-5-6-12)17-9-7-16-8-10-17;;/h2-4,11-12,15-16H,5-10H2,1H3;2*1H/t15-;;/m1../s1
InChIKeyRTGGAENCFFQRLU-QCUBGVIVSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(R)-cyclohexyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171286720
1-[(S)-cyclopropyl-[3-(difluoromethoxy)phenyl]methyl]piperazine
CID 171278221
1-[(R)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171290527
1-[(S)-cyclopentyl-[3-(difluoromethoxy)phenyl]methyl]piperazine
CID 171165047
1-[(S)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine
CID 171277901
1-[(R)-cyclobutyl-(3,5-dimethoxyphenyl)methyl]piperazine
CID 171286297
1-[(S)-cyclopropyl-(3-phenylmethoxyphenyl)methyl]piperazine
CID 171281179
1-[(S)-[3-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171278228
1-[(S)-(3,5-dimethoxyphenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171273678
1-[(R)-(3,5-dimethoxyphenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171286306
1-[(R)-cyclopropyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171295234
(3-methoxyphenyl)-piperazin-1-ylmethanamine
CID 116939833

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopropyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-cyclopropyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride (CID 171286716) is 1-[(R)-cyclopropyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-cyclopropyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-cyclopropyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride is COc1cccc([C@@H](C2CC2)N2CCNCC2)c1.Cl.Cl.
What is the InChIKey of 1-[(R)-cyclopropyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride?
The InChIKey is RTGGAENCFFQRLU-QCUBGVIVSA-N. The full InChI is InChI=1S/C15H22N2O.2ClH/c1-18-14-4-2-3-13(11-14)15(12-5-6-12)17-9-7-16-8-10-17;;/h2-4,11-12,15-16H,5-10H2,1H3;2*1H/t15-;;/m1../s1.
What are the key properties of 1-[(R)-cyclopropyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride?
1-[(R)-cyclopropyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride has a molecular weight of 319.28 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopropyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171286716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).