1-[(1S)-2-cyclopropyl-1-pyridin-3-ylethyl]piperazine;dihydrochloride

C14H23Cl2N3 — CID 171275053

IUPAC1-[(1S)-2-cyclopropyl-1-pyridin-3-ylethyl]piperazine;dihydrochloride
SMILESCl.Cl.c1cncc([C@H](CC2CC2)N2CCNCC2)c1
InChIInChI=1S/C14H21N3.2ClH/c1-2-13(11-16-5-1)14(10-12-3-4-12)17-8-6-15-7-9-17;;/h1-2,5,11-12,14-15H,3-4,6-10H2;2*1H/t14-;;/m0../s1
InChIKeyVMZMHWNKTIKZAF-UTLKBRERSA-N
MW304.26 g/mol
LogP2.67
Rot. Bonds4

About 1-[(1S)-2-cyclopropyl-1-pyridin-3-ylethyl]piperazine;dihydrochloride

1-[(1S)-2-cyclopropyl-1-pyridin-3-ylethyl]piperazine;dihydrochloride (PubChem CID 171275053) has the molecular formula C14H23Cl2N3 and a molecular weight of 304.26 g/mol. Its IUPAC name is 1-[(1S)-2-cyclopropyl-1-pyridin-3-ylethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-2-cyclopropyl-1-pyridin-3-ylethyl]piperazine;dihydrochloride
PubChem CID171275053
Molecular FormulaC14H23Cl2N3
Molecular Weight304.26 g/mol
Exact Mass303.13
IUPAC Name1-[(1S)-2-cyclopropyl-1-pyridin-3-ylethyl]piperazine;dihydrochloride
SMILESCl.Cl.c1cncc([C@H](CC2CC2)N2CCNCC2)c1
InChIInChI=1S/C14H21N3.2ClH/c1-2-13(11-16-5-1)14(10-12-3-4-12)17-8-6-15-7-9-17;;/h1-2,5,11-12,14-15H,3-4,6-10H2;2*1H/t14-;;/m0../s1
InChIKeyVMZMHWNKTIKZAF-UTLKBRERSA-N
XLogP2.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-2-cyclopropyl-1-pyridin-3-ylethyl]piperazine
CID 171287680
1-[(1S)-1-pyridin-3-ylpropyl]piperazine
CID 92764058
1-(2-piperazin-1-yl-2-pyridin-3-ylethyl)piperidin-4-ol
CID 83978977
1-[(1S)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethyl]piperazine
CID 171276536
1-[(R)-cyclopentyl(pyridin-3-yl)methyl]piperazine;dihydrochloride
CID 171287672
1-[(1S)-1-pyridin-3-ylpentyl]piperazine
CID 171308841
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-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride
CID 171292166
4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171285197
1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine
CID 171288681
1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine
CID 171292165

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-cyclopropyl-1-pyridin-3-ylethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-2-cyclopropyl-1-pyridin-3-ylethyl]piperazine;dihydrochloride (CID 171275053) is 1-[(1S)-2-cyclopropyl-1-pyridin-3-ylethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-2-cyclopropyl-1-pyridin-3-ylethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-2-cyclopropyl-1-pyridin-3-ylethyl]piperazine;dihydrochloride is Cl.Cl.c1cncc([C@H](CC2CC2)N2CCNCC2)c1.
What is the InChIKey of 1-[(1S)-2-cyclopropyl-1-pyridin-3-ylethyl]piperazine;dihydrochloride?
The InChIKey is VMZMHWNKTIKZAF-UTLKBRERSA-N. The full InChI is InChI=1S/C14H21N3.2ClH/c1-2-13(11-16-5-1)14(10-12-3-4-12)17-8-6-15-7-9-17;;/h1-2,5,11-12,14-15H,3-4,6-10H2;2*1H/t14-;;/m0../s1.
What are the key properties of 1-[(1S)-2-cyclopropyl-1-pyridin-3-ylethyl]piperazine;dihydrochloride?
1-[(1S)-2-cyclopropyl-1-pyridin-3-ylethyl]piperazine;dihydrochloride has a molecular weight of 304.26 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-cyclopropyl-1-pyridin-3-ylethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171275053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).