[4-(4-methylazepan-1-yl)phenyl]methanol

C14H21NO — CID 63622804

IUPAC[4-(4-methylazepan-1-yl)phenyl]methanol
SMILESCC1CCCN(c2ccc(CO)cc2)CC1
InChIInChI=1S/C14H21NO/c1-12-3-2-9-15(10-8-12)14-6-4-13(11-16)5-7-14/h4-7,12,16H,2-3,8-11H2,1H3
InChIKeyFHXRLQMHBNTOMY-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.81
Rot. Bonds2

About [4-(4-methylazepan-1-yl)phenyl]methanol

[4-(4-methylazepan-1-yl)phenyl]methanol (PubChem CID 63622804) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is [4-(4-methylazepan-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-(4-methylazepan-1-yl)phenyl]methanol
PubChem CID63622804
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name[4-(4-methylazepan-1-yl)phenyl]methanol
SMILESCC1CCCN(c2ccc(CO)cc2)CC1
InChIInChI=1S/C14H21NO/c1-12-3-2-9-15(10-8-12)14-6-4-13(11-16)5-7-14/h4-7,12,16H,2-3,8-11H2,1H3
InChIKeyFHXRLQMHBNTOMY-UHFFFAOYSA-N
XLogP2.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(4-methylazepan-1-yl)phenyl]methyl]propan-2-amine
CID 63624296
N-[[4-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine
CID 63624297
[4-(4-aminopiperidin-1-yl)phenyl]methanol
CID 124707256
N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 43280257
[4-(3-bromopiperidin-1-yl)phenyl]methanol
CID 66778806
N'-hydroxy-4-(4-methylazepan-1-yl)benzenecarboximidamide
CID 77001998
1-[4-(4-methylpiperidin-1-yl)phenyl]propan-2-amine
CID 63786073
[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]methanol
CID 63164119
[4-(3-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride
CID 75485261
[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]methanol
CID 81152536
(4-morpholin-4-ylphenyl)methanol
CID 2776456
[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methanol
CID 61445571

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylazepan-1-yl)phenyl]methanol?
The IUPAC name of [4-(4-methylazepan-1-yl)phenyl]methanol (CID 63622804) is [4-(4-methylazepan-1-yl)phenyl]methanol.
What is the SMILES notation for [4-(4-methylazepan-1-yl)phenyl]methanol?
The canonical SMILES for [4-(4-methylazepan-1-yl)phenyl]methanol is CC1CCCN(c2ccc(CO)cc2)CC1.
What is the InChIKey of [4-(4-methylazepan-1-yl)phenyl]methanol?
The InChIKey is FHXRLQMHBNTOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-12-3-2-9-15(10-8-12)14-6-4-13(11-16)5-7-14/h4-7,12,16H,2-3,8-11H2,1H3.
What are the key properties of [4-(4-methylazepan-1-yl)phenyl]methanol?
[4-(4-methylazepan-1-yl)phenyl]methanol has a molecular weight of 219.33 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylazepan-1-yl)phenyl]methanol is sourced from PubChem (CID 63622804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).