(3S)-1-(5-chloro-2-pyridinyl)-3-methylpiperazine

C10H14ClN3 — CID 94450635

IUPAC(3S)-1-(5-chloro-2-pyridinyl)-3-methylpiperazine
SMILESC[C@H]1CN(c2ccc(Cl)cn2)CCN1
InChIInChI=1S/C10H14ClN3/c1-8-7-14(5-4-12-8)10-3-2-9(11)6-13-10/h2-3,6,8,12H,4-5,7H2,1H3/t8-/m0/s1
InChIKeyQOECGVDYZAXYTF-QMMMGPOBSA-N
MW211.70 g/mol
LogP1.53
Rot. Bonds1

About (3S)-1-(5-chloro-2-pyridinyl)-3-methylpiperazine

(3S)-1-(5-chloro-2-pyridinyl)-3-methylpiperazine (PubChem CID 94450635) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is (3S)-1-(5-chloro-2-pyridinyl)-3-methylpiperazine.

Molecular Properties

Compound Name(3S)-1-(5-chloro-2-pyridinyl)-3-methylpiperazine
PubChem CID94450635
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name(3S)-1-(5-chloro-2-pyridinyl)-3-methylpiperazine
SMILESC[C@H]1CN(c2ccc(Cl)cn2)CCN1
InChIInChI=1S/C10H14ClN3/c1-8-7-14(5-4-12-8)10-3-2-9(11)6-13-10/h2-3,6,8,12H,4-5,7H2,1H3/t8-/m0/s1
InChIKeyQOECGVDYZAXYTF-QMMMGPOBSA-N
XLogP1.53
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-chloro-2-pyridinyl)-3-methylpiperazine?
The IUPAC name of (3S)-1-(5-chloro-2-pyridinyl)-3-methylpiperazine (CID 94450635) is (3S)-1-(5-chloro-2-pyridinyl)-3-methylpiperazine.
What is the SMILES notation for (3S)-1-(5-chloro-2-pyridinyl)-3-methylpiperazine?
The canonical SMILES for (3S)-1-(5-chloro-2-pyridinyl)-3-methylpiperazine is C[C@H]1CN(c2ccc(Cl)cn2)CCN1.
What is the InChIKey of (3S)-1-(5-chloro-2-pyridinyl)-3-methylpiperazine?
The InChIKey is QOECGVDYZAXYTF-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14ClN3/c1-8-7-14(5-4-12-8)10-3-2-9(11)6-13-10/h2-3,6,8,12H,4-5,7H2,1H3/t8-/m0/s1.
What are the key properties of (3S)-1-(5-chloro-2-pyridinyl)-3-methylpiperazine?
(3S)-1-(5-chloro-2-pyridinyl)-3-methylpiperazine has a molecular weight of 211.70 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-chloro-2-pyridinyl)-3-methylpiperazine is sourced from PubChem (CID 94450635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).