[2-chloro-4-(4,4-dimethylpiperidin-1-yl)phenyl]methanol

C14H20ClNO — CID 114064266

IUPAC[2-chloro-4-(4,4-dimethylpiperidin-1-yl)phenyl]methanol
SMILESCC1(C)CCN(c2ccc(CO)c(Cl)c2)CC1
InChIInChI=1S/C14H20ClNO/c1-14(2)5-7-16(8-6-14)12-4-3-11(10-17)13(15)9-12/h3-4,9,17H,5-8,10H2,1-2H3
InChIKeyGDSHBVAWUBMOLG-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.46
Rot. Bonds2

About [2-chloro-4-(4,4-dimethylpiperidin-1-yl)phenyl]methanol

[2-chloro-4-(4,4-dimethylpiperidin-1-yl)phenyl]methanol (PubChem CID 114064266) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is [2-chloro-4-(4,4-dimethylpiperidin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-4-(4,4-dimethylpiperidin-1-yl)phenyl]methanol
PubChem CID114064266
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name[2-chloro-4-(4,4-dimethylpiperidin-1-yl)phenyl]methanol
SMILESCC1(C)CCN(c2ccc(CO)c(Cl)c2)CC1
InChIInChI=1S/C14H20ClNO/c1-14(2)5-7-16(8-6-14)12-4-3-11(10-17)13(15)9-12/h3-4,9,17H,5-8,10H2,1-2H3
InChIKeyGDSHBVAWUBMOLG-UHFFFAOYSA-N
XLogP3.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

3-[4-(3-Chloro-4-hydroxymethyl-phenyl)-piperazin-1-yl]-1-(4-chloro-phenyl)-propan-1-ol
CID 9865446
(R)-3-[4-(3-Chloro-4-hydroxymethyl-phenyl)-piperazin-1-yl]-1-(4-chloro-phenyl)-propan-1-ol
CID 44283963
(S)-3-[4-(3-Chloro-4-hydroxymethyl-phenyl)-piperazin-1-yl]-1-(4-chloro-phenyl)-propan-1-ol
CID 44284013
[3-[(3-chloro-N-ethyl-4-methylanilino)methyl]phenyl]methanol
CID 118349184
Benzenemethanol, 2-chloro-4-(4-methyl-1-piperazinyl)-
CID 209567
Benzenemethanol, 2-chloro-4-(4-(1-methylethyl)-1-piperazinyl)-
CID 3059225
[4-(4-Methylpiperazin-1-yl)phenyl]methanol
CID 2776492
[3-[(4-chloro-N-ethyl-3,5-dimethylanilino)methyl]phenyl]methanol
CID 118349174
[3-[(4-chloro-3-methyl-N-propylanilino)methyl]phenyl]methanol
CID 118349182
[3-[(4-chloro-3-methyl-N-propan-2-ylanilino)methyl]phenyl]methanol
CID 118349192
[3-[(4-chloro-N-ethyl-3-methylanilino)methyl]phenyl]methanol
CID 118349196
(4-(Diethylamino)phenyl)methanol
CID 250092

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(4,4-dimethylpiperidin-1-yl)phenyl]methanol?
The IUPAC name of [2-chloro-4-(4,4-dimethylpiperidin-1-yl)phenyl]methanol (CID 114064266) is [2-chloro-4-(4,4-dimethylpiperidin-1-yl)phenyl]methanol.
What is the SMILES notation for [2-chloro-4-(4,4-dimethylpiperidin-1-yl)phenyl]methanol?
The canonical SMILES for [2-chloro-4-(4,4-dimethylpiperidin-1-yl)phenyl]methanol is CC1(C)CCN(c2ccc(CO)c(Cl)c2)CC1.
What is the InChIKey of [2-chloro-4-(4,4-dimethylpiperidin-1-yl)phenyl]methanol?
The InChIKey is GDSHBVAWUBMOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-14(2)5-7-16(8-6-14)12-4-3-11(10-17)13(15)9-12/h3-4,9,17H,5-8,10H2,1-2H3.
What are the key properties of [2-chloro-4-(4,4-dimethylpiperidin-1-yl)phenyl]methanol?
[2-chloro-4-(4,4-dimethylpiperidin-1-yl)phenyl]methanol has a molecular weight of 253.77 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(4,4-dimethylpiperidin-1-yl)phenyl]methanol is sourced from PubChem (CID 114064266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).