1-(3-chloropropyl)-5-methylpiperidin-3-ol

C9H18ClNO — CID 130943603

IUPAC1-(3-chloropropyl)-5-methylpiperidin-3-ol
SMILESCC1CC(O)CN(CCCCl)C1
InChIInChI=1S/C9H18ClNO/c1-8-5-9(12)7-11(6-8)4-2-3-10/h8-9,12H,2-7H2,1H3
InChIKeyVAFINUAYRZLOSE-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.32
Rot. Bonds3

About 1-(3-chloropropyl)-5-methylpiperidin-3-ol

1-(3-chloropropyl)-5-methylpiperidin-3-ol (PubChem CID 130943603) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 1-(3-chloropropyl)-5-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(3-chloropropyl)-5-methylpiperidin-3-ol
PubChem CID130943603
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name1-(3-chloropropyl)-5-methylpiperidin-3-ol
SMILESCC1CC(O)CN(CCCCl)C1
InChIInChI=1S/C9H18ClNO/c1-8-5-9(12)7-11(6-8)4-2-3-10/h8-9,12H,2-7H2,1H3
InChIKeyVAFINUAYRZLOSE-UHFFFAOYSA-N
XLogP1.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.32
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

N-t-butyl-5-methyl-3-piperidol
CID 3557594
5-Methyl-1-(1-methylethyl)-3-piperidinol
CID 3874539
1-Ethyl-5-methylpiperidin-3-ol
CID 3933831
1-(2-Fluoroethyl)-5-methylpiperidin-3-ol
CID 130802757
(3R,5S)-5-methyl-1-propan-2-ylpiperidin-3-ol
CID 1415651
(3R,5S)-1-tert-butyl-5-methylpiperidin-3-ol
CID 1415666
(3R,5S)-1-ethyl-5-methylpiperidin-3-ol
CID 6556848
(3R,5R)-1-tert-butyl-5-methylpiperidin-3-ol
CID 6556851
(3S,5R)-1-ethyl-5-methylpiperidin-3-ol
CID 7201252
(3S,5R)-1-tert-butyl-5-methylpiperidin-3-ol
CID 7201260
(3R,5R)-1-ethyl-5-methylpiperidin-3-ol
CID 13013539
1-(4-Methylpentyl)piperidin-3-ol
CID 17917928

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropyl)-5-methylpiperidin-3-ol?
The IUPAC name of 1-(3-chloropropyl)-5-methylpiperidin-3-ol (CID 130943603) is 1-(3-chloropropyl)-5-methylpiperidin-3-ol.
What is the SMILES notation for 1-(3-chloropropyl)-5-methylpiperidin-3-ol?
The canonical SMILES for 1-(3-chloropropyl)-5-methylpiperidin-3-ol is CC1CC(O)CN(CCCCl)C1.
What is the InChIKey of 1-(3-chloropropyl)-5-methylpiperidin-3-ol?
The InChIKey is VAFINUAYRZLOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-8-5-9(12)7-11(6-8)4-2-3-10/h8-9,12H,2-7H2,1H3.
What are the key properties of 1-(3-chloropropyl)-5-methylpiperidin-3-ol?
1-(3-chloropropyl)-5-methylpiperidin-3-ol has a molecular weight of 191.70 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropyl)-5-methylpiperidin-3-ol is sourced from PubChem (CID 130943603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).