1-(3-chloropropyl)piperidin-3-ol

C8H16ClNO — CID 53402740

IUPAC1-(3-chloropropyl)piperidin-3-ol
SMILESOC1CCCN(CCCCl)C1
InChIInChI=1S/C8H16ClNO/c9-4-2-6-10-5-1-3-8(11)7-10/h8,11H,1-7H2
InChIKeyMUNUUSYTXATJMQ-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.07
Rot. Bonds3

About 1-(3-chloropropyl)piperidin-3-ol

1-(3-chloropropyl)piperidin-3-ol (PubChem CID 53402740) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 1-(3-chloropropyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(3-chloropropyl)piperidin-3-ol
PubChem CID53402740
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name1-(3-chloropropyl)piperidin-3-ol
SMILESOC1CCCN(CCCCl)C1
InChIInChI=1S/C8H16ClNO/c9-4-2-6-10-5-1-3-8(11)7-10/h8,11H,1-7H2
InChIKeyMUNUUSYTXATJMQ-UHFFFAOYSA-N
XLogP1.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropyl)piperidin-3-ol?
The IUPAC name of 1-(3-chloropropyl)piperidin-3-ol (CID 53402740) is 1-(3-chloropropyl)piperidin-3-ol.
What is the SMILES notation for 1-(3-chloropropyl)piperidin-3-ol?
The canonical SMILES for 1-(3-chloropropyl)piperidin-3-ol is OC1CCCN(CCCCl)C1.
What is the InChIKey of 1-(3-chloropropyl)piperidin-3-ol?
The InChIKey is MUNUUSYTXATJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO/c9-4-2-6-10-5-1-3-8(11)7-10/h8,11H,1-7H2.
What are the key properties of 1-(3-chloropropyl)piperidin-3-ol?
1-(3-chloropropyl)piperidin-3-ol has a molecular weight of 177.67 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropyl)piperidin-3-ol is sourced from PubChem (CID 53402740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).