[1-(3-bromo-4-methylphenyl)-4-(methylamino)piperidin-4-yl]methanol

C14H21BrN2O — CID 117012064

IUPAC[1-(3-bromo-4-methylphenyl)-4-(methylamino)piperidin-4-yl]methanol
SMILESCNC1(CO)CCN(c2ccc(C)c(Br)c2)CC1
InChIInChI=1S/C14H21BrN2O/c1-11-3-4-12(9-13(11)15)17-7-5-14(10-18,16-2)6-8-17/h3-4,9,16,18H,5-8,10H2,1-2H3
InChIKeyVLCNPIGWOMZBIO-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.31
Rot. Bonds3

About [1-(3-bromo-4-methylphenyl)-4-(methylamino)piperidin-4-yl]methanol

[1-(3-bromo-4-methylphenyl)-4-(methylamino)piperidin-4-yl]methanol (PubChem CID 117012064) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is [1-(3-bromo-4-methylphenyl)-4-(methylamino)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-bromo-4-methylphenyl)-4-(methylamino)piperidin-4-yl]methanol
PubChem CID117012064
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name[1-(3-bromo-4-methylphenyl)-4-(methylamino)piperidin-4-yl]methanol
SMILESCNC1(CO)CCN(c2ccc(C)c(Br)c2)CC1
InChIInChI=1S/C14H21BrN2O/c1-11-3-4-12(9-13(11)15)17-7-5-14(10-18,16-2)6-8-17/h3-4,9,16,18H,5-8,10H2,1-2H3
InChIKeyVLCNPIGWOMZBIO-UHFFFAOYSA-N
XLogP2.31
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,5-dimethylphenyl)-4-(methylamino)piperidin-4-yl]methanol
CID 117012043
[1-(3-bromo-4-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol
CID 117012414
[1-(3-bromo-4-methylphenyl)piperidin-4-yl]methanol
CID 117027951
1-(3-bromo-4-methylphenyl)-N-methylpiperidin-4-amine
CID 63334285
4-amino-1-(3-bromo-4-methylphenyl)piperidine-4-carbonitrile
CID 117013082
[1-(3-fluorophenyl)-3-(methylamino)pyrrolidin-3-yl]methanol
CID 117012349
[4-amino-1-(3,4-dimethylphenyl)piperidin-4-yl]methanol
CID 117012104
[1-(4-ethoxyphenyl)-3-(methylamino)pyrrolidin-3-yl]methanol
CID 117012337
2-[4-(methylamino)-1-phenylpiperidin-4-yl]acetic acid
CID 106821085
[1-(2-chlorophenyl)-4-(methylamino)piperidin-4-yl]methanol
CID 117012056
2-amino-1-[4-(3-bromo-4-methylphenyl)piperazin-1-yl]ethanone
CID 82124959
10-(3-bromo-4-methylphenyl)-6,10-diazaspiro[4.6]undecane
CID 64950005

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-4-methylphenyl)-4-(methylamino)piperidin-4-yl]methanol?
The IUPAC name of [1-(3-bromo-4-methylphenyl)-4-(methylamino)piperidin-4-yl]methanol (CID 117012064) is [1-(3-bromo-4-methylphenyl)-4-(methylamino)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(3-bromo-4-methylphenyl)-4-(methylamino)piperidin-4-yl]methanol?
The canonical SMILES for [1-(3-bromo-4-methylphenyl)-4-(methylamino)piperidin-4-yl]methanol is CNC1(CO)CCN(c2ccc(C)c(Br)c2)CC1.
What is the InChIKey of [1-(3-bromo-4-methylphenyl)-4-(methylamino)piperidin-4-yl]methanol?
The InChIKey is VLCNPIGWOMZBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-11-3-4-12(9-13(11)15)17-7-5-14(10-18,16-2)6-8-17/h3-4,9,16,18H,5-8,10H2,1-2H3.
What are the key properties of [1-(3-bromo-4-methylphenyl)-4-(methylamino)piperidin-4-yl]methanol?
[1-(3-bromo-4-methylphenyl)-4-(methylamino)piperidin-4-yl]methanol has a molecular weight of 313.24 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-4-methylphenyl)-4-(methylamino)piperidin-4-yl]methanol is sourced from PubChem (CID 117012064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).