1-[(R)-(6-chloro-3-pyridinyl)-cyclopropylmethyl]-3-methylpiperazine

C14H20ClN3 — CID 87600785

IUPAC1-[(R)-(6-chloro-3-pyridinyl)-cyclopropylmethyl]-3-methylpiperazine
SMILESCC1CN(C(c2ccc(Cl)nc2)C2CC2)CCN1
InChIInChI=1S/C14H20ClN3/c1-10-9-18(7-6-16-10)14(11-2-3-11)12-4-5-13(15)17-8-12/h4-5,8,10-11,14,16H,2-3,6-7,9H2,1H3
InChIKeyPRPBOPSUGGJIDI-UHFFFAOYSA-N
MW265.79 g/mol
LogP2.48
Rot. Bonds3

About 1-[(R)-(6-chloro-3-pyridinyl)-cyclopropylmethyl]-3-methylpiperazine

1-[(R)-(6-chloro-3-pyridinyl)-cyclopropylmethyl]-3-methylpiperazine (PubChem CID 87600785) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 1-[(R)-(6-chloro-3-pyridinyl)-cyclopropylmethyl]-3-methylpiperazine.

Molecular Properties

Compound Name1-[(R)-(6-chloro-3-pyridinyl)-cyclopropylmethyl]-3-methylpiperazine
PubChem CID87600785
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name1-[(R)-(6-chloro-3-pyridinyl)-cyclopropylmethyl]-3-methylpiperazine
SMILESCC1CN(C(c2ccc(Cl)nc2)C2CC2)CCN1
InChIInChI=1S/C14H20ClN3/c1-10-9-18(7-6-16-10)14(11-2-3-11)12-4-5-13(15)17-8-12/h4-5,8,10-11,14,16H,2-3,6-7,9H2,1H3
InChIKeyPRPBOPSUGGJIDI-UHFFFAOYSA-N
XLogP2.48
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(6-chloro-3-pyridinyl)-cyclopropylmethyl]-3-methylpiperazine?
The IUPAC name of 1-[(R)-(6-chloro-3-pyridinyl)-cyclopropylmethyl]-3-methylpiperazine (CID 87600785) is 1-[(R)-(6-chloro-3-pyridinyl)-cyclopropylmethyl]-3-methylpiperazine.
What is the SMILES notation for 1-[(R)-(6-chloro-3-pyridinyl)-cyclopropylmethyl]-3-methylpiperazine?
The canonical SMILES for 1-[(R)-(6-chloro-3-pyridinyl)-cyclopropylmethyl]-3-methylpiperazine is CC1CN(C(c2ccc(Cl)nc2)C2CC2)CCN1.
What is the InChIKey of 1-[(R)-(6-chloro-3-pyridinyl)-cyclopropylmethyl]-3-methylpiperazine?
The InChIKey is PRPBOPSUGGJIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-10-9-18(7-6-16-10)14(11-2-3-11)12-4-5-13(15)17-8-12/h4-5,8,10-11,14,16H,2-3,6-7,9H2,1H3.
What are the key properties of 1-[(R)-(6-chloro-3-pyridinyl)-cyclopropylmethyl]-3-methylpiperazine?
1-[(R)-(6-chloro-3-pyridinyl)-cyclopropylmethyl]-3-methylpiperazine has a molecular weight of 265.79 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(6-chloro-3-pyridinyl)-cyclopropylmethyl]-3-methylpiperazine is sourced from PubChem (CID 87600785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).