1-chloro-4-piperidin-1-ylbutan-1-ol;hydrochloride

C9H19Cl2NO — CID 173327510

IUPAC1-chloro-4-piperidin-1-ylbutan-1-ol;hydrochloride
SMILESCl.OC(Cl)CCCN1CCCCC1
InChIInChI=1S/C9H18ClNO.ClH/c10-9(12)5-4-8-11-6-2-1-3-7-11;/h9,12H,1-8H2;1H
InChIKeyMQBKPBIDFYREHR-UHFFFAOYSA-N
MW228.16 g/mol
LogP2.23
Rot. Bonds4

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

1-chloro-4-piperidin-1-ylbutan-1-ol;hydrochloride (PubChem CID 173327510) has the molecular formula C9H19Cl2NO and a molecular weight of 228.16 g/mol. Its IUPAC name is 1-chloro-4-piperidin-1-ylbutan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-chloro-4-piperidin-1-ylbutan-1-ol;hydrochloride
PubChem CID173327510
Molecular FormulaC9H19Cl2NO
Molecular Weight228.16 g/mol
Exact Mass227.08
IUPAC Name1-chloro-4-piperidin-1-ylbutan-1-ol;hydrochloride
SMILESCl.OC(Cl)CCCN1CCCCC1
InChIInChI=1S/C9H18ClNO.ClH/c10-9(12)5-4-8-11-6-2-1-3-7-11;/h9,12H,1-8H2;1H
InChIKeyMQBKPBIDFYREHR-UHFFFAOYSA-N
XLogP2.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.16
LogP ≤ 52.23
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

1-(3-Chloropropyl)piperidin-4-OL
CID 12725718
1-(3-Chloropropyl)piperidin-3-ol
CID 53402740
1-Chloro-4-piperidin-1-ylbutan-1-ol
CID 57095058
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-Chloro-4-hydroxybutyl)-triethylazanium chloride
CID 88347220
[4-(Chloromethyl)-1-methylpiperidin-4-yl]methanol
CID 121322480
[1-Butyl-4-(chloromethyl)piperidin-4-yl]methanol
CID 138563859
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-5-(diethylamino)pentan-2-ol;hydrochloride
CID 175413276

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-piperidin-1-ylbutan-1-ol;hydrochloride?
The IUPAC name of 1-chloro-4-piperidin-1-ylbutan-1-ol;hydrochloride (CID 173327510) is 1-chloro-4-piperidin-1-ylbutan-1-ol;hydrochloride.
What is the SMILES notation for 1-chloro-4-piperidin-1-ylbutan-1-ol;hydrochloride?
The canonical SMILES for 1-chloro-4-piperidin-1-ylbutan-1-ol;hydrochloride is Cl.OC(Cl)CCCN1CCCCC1.
What is the InChIKey of 1-chloro-4-piperidin-1-ylbutan-1-ol;hydrochloride?
The InChIKey is MQBKPBIDFYREHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO.ClH/c10-9(12)5-4-8-11-6-2-1-3-7-11;/h9,12H,1-8H2;1H.
What are the key properties of 1-chloro-4-piperidin-1-ylbutan-1-ol;hydrochloride?
1-chloro-4-piperidin-1-ylbutan-1-ol;hydrochloride has a molecular weight of 228.16 g/mol, XLogP of 2.23, 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;hydrochloride is sourced from PubChem (CID 173327510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).