[1-[2-(chloromethyl)prop-2-enyl]piperidin-2-yl]methanol

C10H18ClNO — CID 103067681

IUPAC[1-[2-(chloromethyl)prop-2-enyl]piperidin-2-yl]methanol
SMILESC=C(CCl)CN1CCCCC1CO
InChIInChI=1S/C10H18ClNO/c1-9(6-11)7-12-5-3-2-4-10(12)8-13/h10,13H,1-8H2
InChIKeyBJSKGWLXVHBYTO-UHFFFAOYSA-N
MW203.71 g/mol
LogP1.63
Rot. Bonds4

About [1-[2-(chloromethyl)prop-2-enyl]piperidin-2-yl]methanol

[1-[2-(chloromethyl)prop-2-enyl]piperidin-2-yl]methanol (PubChem CID 103067681) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is [1-[2-(chloromethyl)prop-2-enyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-(chloromethyl)prop-2-enyl]piperidin-2-yl]methanol
PubChem CID103067681
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name[1-[2-(chloromethyl)prop-2-enyl]piperidin-2-yl]methanol
SMILESC=C(CCl)CN1CCCCC1CO
InChIInChI=1S/C10H18ClNO/c1-9(6-11)7-12-5-3-2-4-10(12)8-13/h10,13H,1-8H2
InChIKeyBJSKGWLXVHBYTO-UHFFFAOYSA-N
XLogP1.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-(3-chloropropyl)piperidin-2-yl]methanol
CID 124424049
[1-(2-Methylprop-2-enyl)piperidin-2-yl]methanol
CID 60684814
[1-(2-Chloroprop-2-enyl)piperidin-2-yl]methanol
CID 60685107
[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]methanol
CID 61355740
[1-(3-Chloropropyl)piperidin-2-yl]methanol
CID 61407786
[1-(5-Chloropentyl)piperidin-2-yl]methanol
CID 61407832
[1-(4-Chlorobutyl)piperidin-2-yl]methanol
CID 61751175
[1-(6-Chlorohexyl)piperidin-2-yl]methanol
CID 62229321
[1-(3-Chloro-2-methylpropyl)piperidin-2-yl]methanol
CID 64231649
[1-(3-Chloroprop-2-enyl)piperidin-2-yl]methanol
CID 76898311
[1-(4-Chlorobut-2-enyl)piperidin-2-yl]methanol
CID 77051403
[1-(2,3-Dichloroprop-2-enyl)piperidin-2-yl]methanol
CID 79173393

Frequently Asked Questions

What is the IUPAC name of [1-[2-(chloromethyl)prop-2-enyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[2-(chloromethyl)prop-2-enyl]piperidin-2-yl]methanol (CID 103067681) is [1-[2-(chloromethyl)prop-2-enyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[2-(chloromethyl)prop-2-enyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[2-(chloromethyl)prop-2-enyl]piperidin-2-yl]methanol is C=C(CCl)CN1CCCCC1CO.
What is the InChIKey of [1-[2-(chloromethyl)prop-2-enyl]piperidin-2-yl]methanol?
The InChIKey is BJSKGWLXVHBYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-9(6-11)7-12-5-3-2-4-10(12)8-13/h10,13H,1-8H2.
What are the key properties of [1-[2-(chloromethyl)prop-2-enyl]piperidin-2-yl]methanol?
[1-[2-(chloromethyl)prop-2-enyl]piperidin-2-yl]methanol has a molecular weight of 203.71 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(chloromethyl)prop-2-enyl]piperidin-2-yl]methanol is sourced from PubChem (CID 103067681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).