1-[(1S)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethyl]piperazine

C14H20ClN3 — CID 171276536

IUPAC1-[(1S)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethyl]piperazine
SMILESClc1ccc([C@H](CC2CC2)N2CCNCC2)cn1
InChIInChI=1S/C14H20ClN3/c15-14-4-3-12(10-17-14)13(9-11-1-2-11)18-7-5-16-6-8-18/h3-4,10-11,13,16H,1-2,5-9H2/t13-/m0/s1
InChIKeyIQYXSIUYVRSEHB-ZDUSSCGKSA-N
MW265.79 g/mol
LogP2.48
Rot. Bonds4

About 1-[(1S)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethyl]piperazine

1-[(1S)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethyl]piperazine (PubChem CID 171276536) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 1-[(1S)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethyl]piperazine
PubChem CID171276536
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name1-[(1S)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethyl]piperazine
SMILESClc1ccc([C@H](CC2CC2)N2CCNCC2)cn1
InChIInChI=1S/C14H20ClN3/c15-14-4-3-12(10-17-14)13(9-11-1-2-11)18-7-5-16-6-8-18/h3-4,10-11,13,16H,1-2,5-9H2/t13-/m0/s1
InChIKeyIQYXSIUYVRSEHB-ZDUSSCGKSA-N
XLogP2.48
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine
CID 171288681
1-[(1S)-1-(6-chloro-3-pyridinyl)-4,4,4-trifluorobutyl]piperazine
CID 171302618
1-[(1R)-1-(6-chloro-3-pyridinyl)-4,4,4-trifluorobutyl]piperazine
CID 171303582
1-[(1R)-2-cyclopropyl-1-pyridin-3-ylethyl]piperazine
CID 171287680
1-[(S)-(6-chloro-3-pyridinyl)-cyclopropylmethyl]piperazine;dihydrochloride
CID 171276521
1-[(1S)-2-cyclopropyl-1-pyridin-3-ylethyl]piperazine;dihydrochloride
CID 171275053
1-[(1R)-1-(3-chloro-4-methylphenyl)-2-cyclopropylethyl]piperazine
CID 171289842
1-[(1S)-1-(6-chloro-3-pyridinyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171302619
1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171288682
1-[(1S)-2-cyclopropyl-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171273249
1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine
CID 171163456
4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171285197

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethyl]piperazine?
The IUPAC name of 1-[(1S)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethyl]piperazine (CID 171276536) is 1-[(1S)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethyl]piperazine is Clc1ccc([C@H](CC2CC2)N2CCNCC2)cn1.
What is the InChIKey of 1-[(1S)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethyl]piperazine?
The InChIKey is IQYXSIUYVRSEHB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20ClN3/c15-14-4-3-12(10-17-14)13(9-11-1-2-11)18-7-5-16-6-8-18/h3-4,10-11,13,16H,1-2,5-9H2/t13-/m0/s1.
What are the key properties of 1-[(1S)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethyl]piperazine?
1-[(1S)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethyl]piperazine has a molecular weight of 265.79 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethyl]piperazine is sourced from PubChem (CID 171276536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).