[4-(chloromethyl)-1-propylpiperidin-4-yl]methanol

C10H20ClNO — CID 166780472

IUPAC[4-(chloromethyl)-1-propylpiperidin-4-yl]methanol
SMILESCCCN1CCC(CO)(CCl)CC1
InChIInChI=1S/C10H20ClNO/c1-2-5-12-6-3-10(8-11,9-13)4-7-12/h13H,2-9H2,1H3
InChIKeySKLHEIGLWMKGFD-UHFFFAOYSA-N
MW205.73 g/mol
LogP1.71
Rot. Bonds4

About [4-(chloromethyl)-1-propylpiperidin-4-yl]methanol

[4-(chloromethyl)-1-propylpiperidin-4-yl]methanol (PubChem CID 166780472) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is [4-(chloromethyl)-1-propylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-(chloromethyl)-1-propylpiperidin-4-yl]methanol
PubChem CID166780472
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name[4-(chloromethyl)-1-propylpiperidin-4-yl]methanol
SMILESCCCN1CCC(CO)(CCl)CC1
InChIInChI=1S/C10H20ClNO/c1-2-5-12-6-3-10(8-11,9-13)4-7-12/h13H,2-9H2,1H3
InChIKeySKLHEIGLWMKGFD-UHFFFAOYSA-N
XLogP1.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 51.71
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 [4-(chloromethyl)-1-propylpiperidin-4-yl]methanol?
The IUPAC name of [4-(chloromethyl)-1-propylpiperidin-4-yl]methanol (CID 166780472) is [4-(chloromethyl)-1-propylpiperidin-4-yl]methanol.
What is the SMILES notation for [4-(chloromethyl)-1-propylpiperidin-4-yl]methanol?
The canonical SMILES for [4-(chloromethyl)-1-propylpiperidin-4-yl]methanol is CCCN1CCC(CO)(CCl)CC1.
What is the InChIKey of [4-(chloromethyl)-1-propylpiperidin-4-yl]methanol?
The InChIKey is SKLHEIGLWMKGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-2-5-12-6-3-10(8-11,9-13)4-7-12/h13H,2-9H2,1H3.
What are the key properties of [4-(chloromethyl)-1-propylpiperidin-4-yl]methanol?
[4-(chloromethyl)-1-propylpiperidin-4-yl]methanol has a molecular weight of 205.73 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)-1-propylpiperidin-4-yl]methanol is sourced from PubChem (CID 166780472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).