[(3R)-1-(2-chloroethyl)piperidin-3-yl]methanol

C8H16ClNO — CID 124679316

IUPAC[(3R)-1-(2-chloroethyl)piperidin-3-yl]methanol
SMILESOC[C@@H]1CCCN(CCCl)C1
InChIInChI=1S/C8H16ClNO/c9-3-5-10-4-1-2-8(6-10)7-11/h8,11H,1-7H2/t8-/m1/s1
InChIKeyKNVFHPGFHSBVMT-MRVPVSSYSA-N
MW177.67 g/mol
LogP0.93
Rot. Bonds3

About [(3R)-1-(2-chloroethyl)piperidin-3-yl]methanol

[(3R)-1-(2-chloroethyl)piperidin-3-yl]methanol (PubChem CID 124679316) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is [(3R)-1-(2-chloroethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-(2-chloroethyl)piperidin-3-yl]methanol
PubChem CID124679316
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name[(3R)-1-(2-chloroethyl)piperidin-3-yl]methanol
SMILESOC[C@@H]1CCCN(CCCl)C1
InChIInChI=1S/C8H16ClNO/c9-3-5-10-4-1-2-8(6-10)7-11/h8,11H,1-7H2/t8-/m1/s1
InChIKeyKNVFHPGFHSBVMT-MRVPVSSYSA-N
XLogP0.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 50.93
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

5-[3-(hydroxymethyl)piperidin-1-yl]pentan-1-ol
CID 62229344
[(3S)-1-ethylpiperidin-3-yl]methanol
CID 26722496
(1-prop-2-ynylpiperidin-3-yl)methanol
CID 18616526
[(3R)-1-(cyclooctylmethyl)piperidin-3-yl]methanol
CID 91565820
[1-(cyclohexylmethyl)piperidin-3-yl]methanol
CID 3488104
[(3R)-1-(3-methoxypropyl)piperidin-3-yl]methanol
CID 129367340
[1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol
CID 53211509
4-[3-(hydroxymethyl)piperidin-1-yl]butanethioamide
CID 43590304
3-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide
CID 62324485
ethane;(1-methylpiperidin-3-yl)methanol
CID 142013659
(1-chloropiperidin-3-yl)methanol
CID 123689444
CID 59303854
CID 59303854

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(2-chloroethyl)piperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-(2-chloroethyl)piperidin-3-yl]methanol (CID 124679316) is [(3R)-1-(2-chloroethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-(2-chloroethyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-(2-chloroethyl)piperidin-3-yl]methanol is OC[C@@H]1CCCN(CCCl)C1.
What is the InChIKey of [(3R)-1-(2-chloroethyl)piperidin-3-yl]methanol?
The InChIKey is KNVFHPGFHSBVMT-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H16ClNO/c9-3-5-10-4-1-2-8(6-10)7-11/h8,11H,1-7H2/t8-/m1/s1.
What are the key properties of [(3R)-1-(2-chloroethyl)piperidin-3-yl]methanol?
[(3R)-1-(2-chloroethyl)piperidin-3-yl]methanol has a molecular weight of 177.67 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(2-chloroethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 124679316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).