[1-(2-bromoprop-2-enyl)-6-methylpiperidin-3-yl]methanol

C10H18BrNO — CID 130693350

IUPAC[1-(2-bromoprop-2-enyl)-6-methylpiperidin-3-yl]methanol
SMILESC=C(Br)CN1CC(CO)CCC1C
InChIInChI=1S/C10H18BrNO/c1-8(11)5-12-6-10(7-13)4-3-9(12)2/h9-10,13H,1,3-7H2,2H3
InChIKeyJTGDEZRQPQAWJR-UHFFFAOYSA-N
MW248.16 g/mol
LogP1.99
Rot. Bonds3

About [1-(2-bromoprop-2-enyl)-6-methylpiperidin-3-yl]methanol

[1-(2-bromoprop-2-enyl)-6-methylpiperidin-3-yl]methanol (PubChem CID 130693350) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is [1-(2-bromoprop-2-enyl)-6-methylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-bromoprop-2-enyl)-6-methylpiperidin-3-yl]methanol
PubChem CID130693350
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name[1-(2-bromoprop-2-enyl)-6-methylpiperidin-3-yl]methanol
SMILESC=C(Br)CN1CC(CO)CCC1C
InChIInChI=1S/C10H18BrNO/c1-8(11)5-12-6-10(7-13)4-3-9(12)2/h9-10,13H,1,3-7H2,2H3
InChIKeyJTGDEZRQPQAWJR-UHFFFAOYSA-N
XLogP1.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S,6R)-1-[(E)-4-[(2R,5S)-5-(hydroxymethyl)-2-methylpiperidin-1-yl]but-2-enyl]-6-methylpiperidin-3-yl]methanol
CID 129432810
[1-[(E)-but-2-enyl]-6-methylpiperidin-3-yl]methanol
CID 131232339
(1-benzyl-6-methylpiperidin-3-yl)methanol
CID 22106848
1-(2-bromoprop-2-enyl)-2-methylpiperidin-4-amine
CID 115313002
[1-[(4-chloro-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanol
CID 110022481
1-(2-bromoprop-2-enyl)-2-methylpiperidin-3-amine
CID 130993309
2-[(2,5-dimethylpiperidin-1-yl)methyl]-N-ethylprop-2-en-1-amine
CID 103070868
4-(2-bromoprop-2-enyl)-3-methyl-1,4-oxazepane
CID 130739918
N-[2-[(2,5-dimethylpiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine
CID 103070872
tert-butyl (2R,5S)-5-(hydroxymethyl)-2-methylpiperidine-1-carboxylate
CID 59277644
(3,4-dimethylcyclohexyl)methanol
CID 22708626
[(1R,3S)-3,4-dimethylcyclohexyl]methanol
CID 118389064

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromoprop-2-enyl)-6-methylpiperidin-3-yl]methanol?
The IUPAC name of [1-(2-bromoprop-2-enyl)-6-methylpiperidin-3-yl]methanol (CID 130693350) is [1-(2-bromoprop-2-enyl)-6-methylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-(2-bromoprop-2-enyl)-6-methylpiperidin-3-yl]methanol?
The canonical SMILES for [1-(2-bromoprop-2-enyl)-6-methylpiperidin-3-yl]methanol is C=C(Br)CN1CC(CO)CCC1C.
What is the InChIKey of [1-(2-bromoprop-2-enyl)-6-methylpiperidin-3-yl]methanol?
The InChIKey is JTGDEZRQPQAWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO/c1-8(11)5-12-6-10(7-13)4-3-9(12)2/h9-10,13H,1,3-7H2,2H3.
What are the key properties of [1-(2-bromoprop-2-enyl)-6-methylpiperidin-3-yl]methanol?
[1-(2-bromoprop-2-enyl)-6-methylpiperidin-3-yl]methanol has a molecular weight of 248.16 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromoprop-2-enyl)-6-methylpiperidin-3-yl]methanol is sourced from PubChem (CID 130693350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).