[4-(1-hydroxycyclopentyl)phenyl]-trimethylazanium

C14H22NO+ — CID 162503857

IUPAC[4-(1-hydroxycyclopentyl)phenyl]-trimethylazanium
SMILESC[N+](C)(C)c1ccc(C2(O)CCCC2)cc1
InChIInChI=1S/C14H22NO/c1-15(2,3)13-8-6-12(7-9-13)14(16)10-4-5-11-14/h6-9,16H,4-5,10-11H2,1-3H3/q+1
InChIKeyIYMWEZAGSHZMEG-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.64
Rot. Bonds2

About [4-(1-hydroxycyclopentyl)phenyl]-trimethylazanium

[4-(1-hydroxycyclopentyl)phenyl]-trimethylazanium (PubChem CID 162503857) has the molecular formula C14H22NO+ and a molecular weight of 220.34 g/mol. Its IUPAC name is [4-(1-hydroxycyclopentyl)phenyl]-trimethylazanium.

Molecular Properties

Compound Name[4-(1-hydroxycyclopentyl)phenyl]-trimethylazanium
PubChem CID162503857
Molecular FormulaC14H22NO+
Molecular Weight220.34 g/mol
Exact Mass220.17
IUPAC Name[4-(1-hydroxycyclopentyl)phenyl]-trimethylazanium
SMILESC[N+](C)(C)c1ccc(C2(O)CCCC2)cc1
InChIInChI=1S/C14H22NO/c1-15(2,3)13-8-6-12(7-9-13)14(16)10-4-5-11-14/h6-9,16H,4-5,10-11H2,1-3H3/q+1
InChIKeyIYMWEZAGSHZMEG-UHFFFAOYSA-N
XLogP2.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-sulfanylphenyl)cyclopentan-1-ol
CID 123677062
ethane;1-phenylcyclohexan-1-ol
CID 144640846
triethyl-[[4-(1-hydroxycyclopentyl)phenyl]methyl]azanium
CID 162504117
1-(4-propylphenyl)cyclopentan-1-ol
CID 62802063
copper;1-phenylcyclohexan-1-ol
CID 174727157
methyl 4-(1-hydroxycyclopentyl)benzoate
CID 130120514
cis-(1R,4S)-1,4-bis(4-fluorophenyl)cycloheptane-1,4-diol
CID 101158460
1-(4-propylphenyl)cyclobutan-1-ol
CID 79080570
azane;1-phenylcyclobutan-1-ol
CID 175547532
ethane;1-(4-methylphenyl)cyclopropan-1-ol
CID 178045850
4-(1-hydroxycyclobutyl)benzaldehyde
CID 156800908
3-(4-fluorophenyl)piperidin-3-ol
CID 10198053

Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxycyclopentyl)phenyl]-trimethylazanium?
The IUPAC name of [4-(1-hydroxycyclopentyl)phenyl]-trimethylazanium (CID 162503857) is [4-(1-hydroxycyclopentyl)phenyl]-trimethylazanium.
What is the SMILES notation for [4-(1-hydroxycyclopentyl)phenyl]-trimethylazanium?
The canonical SMILES for [4-(1-hydroxycyclopentyl)phenyl]-trimethylazanium is C[N+](C)(C)c1ccc(C2(O)CCCC2)cc1.
What is the InChIKey of [4-(1-hydroxycyclopentyl)phenyl]-trimethylazanium?
The InChIKey is IYMWEZAGSHZMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22NO/c1-15(2,3)13-8-6-12(7-9-13)14(16)10-4-5-11-14/h6-9,16H,4-5,10-11H2,1-3H3/q+1.
What are the key properties of [4-(1-hydroxycyclopentyl)phenyl]-trimethylazanium?
[4-(1-hydroxycyclopentyl)phenyl]-trimethylazanium has a molecular weight of 220.34 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxycyclopentyl)phenyl]-trimethylazanium is sourced from PubChem (CID 162503857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).