1-[(S)-(3-chloro-4-pyridinyl)-cyclohexylmethyl]piperazine;dihydrochloride

C16H26Cl3N3 — CID 171273012

IUPAC1-[(S)-(3-chloro-4-pyridinyl)-cyclohexylmethyl]piperazine;dihydrochloride
SMILESCl.Cl.Clc1cnccc1[C@H](C1CCCCC1)N1CCNCC1
InChIInChI=1S/C16H24ClN3.2ClH/c17-15-12-19-7-6-14(15)16(13-4-2-1-3-5-13)20-10-8-18-9-11-20;;/h6-7,12-13,16,18H,1-5,8-11H2;2*1H/t16-;;/m0../s1
InChIKeyCHLGOIVJMGWEKL-SQKCAUCHSA-N
MW366.76 g/mol
LogP4.11
Rot. Bonds3

About 1-[(S)-(3-chloro-4-pyridinyl)-cyclohexylmethyl]piperazine;dihydrochloride

1-[(S)-(3-chloro-4-pyridinyl)-cyclohexylmethyl]piperazine;dihydrochloride (PubChem CID 171273012) has the molecular formula C16H26Cl3N3 and a molecular weight of 366.76 g/mol. Its IUPAC name is 1-[(S)-(3-chloro-4-pyridinyl)-cyclohexylmethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(S)-(3-chloro-4-pyridinyl)-cyclohexylmethyl]piperazine;dihydrochloride
PubChem CID171273012
Molecular FormulaC16H26Cl3N3
Molecular Weight366.76 g/mol
Exact Mass365.12
IUPAC Name1-[(S)-(3-chloro-4-pyridinyl)-cyclohexylmethyl]piperazine;dihydrochloride
SMILESCl.Cl.Clc1cnccc1[C@H](C1CCCCC1)N1CCNCC1
InChIInChI=1S/C16H24ClN3.2ClH/c17-15-12-19-7-6-14(15)16(13-4-2-1-3-5-13)20-10-8-18-9-11-20;;/h6-7,12-13,16,18H,1-5,8-11H2;2*1H/t16-;;/m0../s1
InChIKeyCHLGOIVJMGWEKL-SQKCAUCHSA-N
XLogP4.11
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.76
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-cyclohexyl-(3,5-dichloro-4-pyridinyl)methyl]piperazine
CID 171277386
1-[(R)-cyclohexyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171288565
1-[(R)-(2-chloro-3-pyridinyl)-cyclohexylmethyl]piperazine
CID 171285765
1-[(S)-(2-chloro-3-pyridinyl)-cyclohexylmethyl]piperazine
CID 171273137
1-[(S)-(2-chloro-4-fluorophenyl)-cyclohexylmethyl]piperazine
CID 171164424
1-[(R)-cyclopentyl(pyridin-3-yl)methyl]piperazine;dihydrochloride
CID 171287672
1-[(R)-cyclohexyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171287555
1-[(S)-(5-bromo-2-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171276894
1-[(S)-(5-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171275461
1-[(S)-(2-chloro-5-fluorophenyl)-cyclohexylmethyl]piperazine
CID 171164473
1-[(S)-cyclopentyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171274925
1-[(R)-(4-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171288703

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(3-chloro-4-pyridinyl)-cyclohexylmethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(S)-(3-chloro-4-pyridinyl)-cyclohexylmethyl]piperazine;dihydrochloride (CID 171273012) is 1-[(S)-(3-chloro-4-pyridinyl)-cyclohexylmethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(S)-(3-chloro-4-pyridinyl)-cyclohexylmethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(S)-(3-chloro-4-pyridinyl)-cyclohexylmethyl]piperazine;dihydrochloride is Cl.Cl.Clc1cnccc1[C@H](C1CCCCC1)N1CCNCC1.
What is the InChIKey of 1-[(S)-(3-chloro-4-pyridinyl)-cyclohexylmethyl]piperazine;dihydrochloride?
The InChIKey is CHLGOIVJMGWEKL-SQKCAUCHSA-N. The full InChI is InChI=1S/C16H24ClN3.2ClH/c17-15-12-19-7-6-14(15)16(13-4-2-1-3-5-13)20-10-8-18-9-11-20;;/h6-7,12-13,16,18H,1-5,8-11H2;2*1H/t16-;;/m0../s1.
What are the key properties of 1-[(S)-(3-chloro-4-pyridinyl)-cyclohexylmethyl]piperazine;dihydrochloride?
1-[(S)-(3-chloro-4-pyridinyl)-cyclohexylmethyl]piperazine;dihydrochloride has a molecular weight of 366.76 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(3-chloro-4-pyridinyl)-cyclohexylmethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171273012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).