1-chloro-3-(4-propylpiperidin-1-yl)propan-2-ol

C11H22ClNO — CID 112561569

IUPAC1-chloro-3-(4-propylpiperidin-1-yl)propan-2-ol
SMILESCCCC1CCN(CC(O)CCl)CC1
InChIInChI=1S/C11H22ClNO/c1-2-3-10-4-6-13(7-5-10)9-11(14)8-12/h10-11,14H,2-9H2,1H3
InChIKeyDVZQGCWTLHNYDQ-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.10
Rot. Bonds5

About 1-chloro-3-(4-propylpiperidin-1-yl)propan-2-ol

1-chloro-3-(4-propylpiperidin-1-yl)propan-2-ol (PubChem CID 112561569) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 1-chloro-3-(4-propylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(4-propylpiperidin-1-yl)propan-2-ol
PubChem CID112561569
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name1-chloro-3-(4-propylpiperidin-1-yl)propan-2-ol
SMILESCCCC1CCN(CC(O)CCl)CC1
InChIInChI=1S/C11H22ClNO/c1-2-3-10-4-6-13(7-5-10)9-11(14)8-12/h10-11,14H,2-9H2,1H3
InChIKeyDVZQGCWTLHNYDQ-UHFFFAOYSA-N
XLogP2.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.10
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-chloro-3-(4-propylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-chloro-3-(4-propylpiperidin-1-yl)propan-2-ol (CID 112561569) is 1-chloro-3-(4-propylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-chloro-3-(4-propylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-chloro-3-(4-propylpiperidin-1-yl)propan-2-ol is CCCC1CCN(CC(O)CCl)CC1.
What is the InChIKey of 1-chloro-3-(4-propylpiperidin-1-yl)propan-2-ol?
The InChIKey is DVZQGCWTLHNYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-2-3-10-4-6-13(7-5-10)9-11(14)8-12/h10-11,14H,2-9H2,1H3.
What are the key properties of 1-chloro-3-(4-propylpiperidin-1-yl)propan-2-ol?
1-chloro-3-(4-propylpiperidin-1-yl)propan-2-ol has a molecular weight of 219.76 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(4-propylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 112561569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).