1-chloro-3-(4,4-dimethylpiperidin-1-yl)propan-2-ol

C10H20ClNO — CID 112561596

IUPAC1-chloro-3-(4,4-dimethylpiperidin-1-yl)propan-2-ol
SMILESCC1(C)CCN(CC(O)CCl)CC1
InChIInChI=1S/C10H20ClNO/c1-10(2)3-5-12(6-4-10)8-9(13)7-11/h9,13H,3-8H2,1-2H3
InChIKeyNRTMAESRSAMBJB-UHFFFAOYSA-N
MW205.73 g/mol
LogP1.71
Rot. Bonds3

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

1-chloro-3-(4,4-dimethylpiperidin-1-yl)propan-2-ol (PubChem CID 112561596) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 1-chloro-3-(4,4-dimethylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(4,4-dimethylpiperidin-1-yl)propan-2-ol
PubChem CID112561596
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name1-chloro-3-(4,4-dimethylpiperidin-1-yl)propan-2-ol
SMILESCC1(C)CCN(CC(O)CCl)CC1
InChIInChI=1S/C10H20ClNO/c1-10(2)3-5-12(6-4-10)8-9(13)7-11/h9,13H,3-8H2,1-2H3
InChIKeyNRTMAESRSAMBJB-UHFFFAOYSA-N
XLogP1.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 1-chloro-3-(4,4-dimethylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-chloro-3-(4,4-dimethylpiperidin-1-yl)propan-2-ol (CID 112561596) is 1-chloro-3-(4,4-dimethylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-chloro-3-(4,4-dimethylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-chloro-3-(4,4-dimethylpiperidin-1-yl)propan-2-ol is CC1(C)CCN(CC(O)CCl)CC1.
What is the InChIKey of 1-chloro-3-(4,4-dimethylpiperidin-1-yl)propan-2-ol?
The InChIKey is NRTMAESRSAMBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-10(2)3-5-12(6-4-10)8-9(13)7-11/h9,13H,3-8H2,1-2H3.
What are the key properties of 1-chloro-3-(4,4-dimethylpiperidin-1-yl)propan-2-ol?
1-chloro-3-(4,4-dimethylpiperidin-1-yl)propan-2-ol has a molecular weight of 205.73 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(4,4-dimethylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 112561596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).