1-chloro-4-piperidin-1-ylbutan-1-ol

C9H18ClNO — CID 57095058

IUPAC1-chloro-4-piperidin-1-ylbutan-1-ol
SMILESOC(Cl)CCCN1CCCCC1
InChIInChI=1S/C9H18ClNO/c10-9(12)5-4-8-11-6-2-1-3-7-11/h9,12H,1-8H2
InChIKeyPURUDZWWYDDXMP-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.81
Rot. Bonds4

About 1-chloro-4-piperidin-1-ylbutan-1-ol

1-chloro-4-piperidin-1-ylbutan-1-ol (PubChem CID 57095058) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 1-chloro-4-piperidin-1-ylbutan-1-ol.

Molecular Properties

Compound Name1-chloro-4-piperidin-1-ylbutan-1-ol
PubChem CID57095058
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name1-chloro-4-piperidin-1-ylbutan-1-ol
SMILESOC(Cl)CCCN1CCCCC1
InChIInChI=1S/C9H18ClNO/c10-9(12)5-4-8-11-6-2-1-3-7-11/h9,12H,1-8H2
InChIKeyPURUDZWWYDDXMP-UHFFFAOYSA-N
XLogP1.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(1-Piperidinyl)-1-butanol hydrochloride
CID 24190420
1-(3-Chloropropyl)piperidin-4-OL
CID 12725718
1-(3-Chloropropyl)piperidin-3-ol
CID 53402740
3-(3-Chloropiperidin-1-yl)propan-1-ol
CID 67280997
3-(2-Chloro-1-methylpiperidin-1-ium-1-yl)propan-1-ol chloride
CID 67710640
[4-(Chloromethyl)-1-methylpiperidin-4-yl]methanol
CID 121322480
[1-Butyl-4-(chloromethyl)piperidin-4-yl]methanol
CID 138563859
Chloro-(1-methylpiperidin-4-yl)methanol
CID 149395826
3-Chloro-1-piperidin-1-ylpropan-1-ol
CID 152158473
[4-(Chloromethyl)-1-propylpiperidin-4-yl]methanol
CID 166780472
[4-(Chloromethyl)-1-ethylpiperidin-4-yl]methanol
CID 169836235
1-Chloro-4-piperidin-1-ylbutan-1-ol;hydrochloride
CID 173327510

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-piperidin-1-ylbutan-1-ol?
The IUPAC name of 1-chloro-4-piperidin-1-ylbutan-1-ol (CID 57095058) is 1-chloro-4-piperidin-1-ylbutan-1-ol.
What is the SMILES notation for 1-chloro-4-piperidin-1-ylbutan-1-ol?
The canonical SMILES for 1-chloro-4-piperidin-1-ylbutan-1-ol is OC(Cl)CCCN1CCCCC1.
What is the InChIKey of 1-chloro-4-piperidin-1-ylbutan-1-ol?
The InChIKey is PURUDZWWYDDXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c10-9(12)5-4-8-11-6-2-1-3-7-11/h9,12H,1-8H2.
What are the key properties of 1-chloro-4-piperidin-1-ylbutan-1-ol?
1-chloro-4-piperidin-1-ylbutan-1-ol has a molecular weight of 191.70 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-piperidin-1-ylbutan-1-ol is sourced from PubChem (CID 57095058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).