1-[(4-cyclononylphenyl)-methoxymethyl]-4-methylpiperidine

C23H37NO — CID 155274208

IUPAC1-[(4-cyclononylphenyl)-methoxymethyl]-4-methylpiperidine
SMILESCOC(c1ccc(C2CCCCCCCC2)cc1)N1CCC(C)CC1
InChIInChI=1S/C23H37NO/c1-19-15-17-24(18-16-19)23(25-2)22-13-11-21(12-14-22)20-9-7-5-3-4-6-8-10-20/h11-14,19-20,23H,3-10,15-18H2,1-2H3
InChIKeyLDILMWOEQGKOLV-UHFFFAOYSA-N
MW343.56 g/mol
LogP6.28
Rot. Bonds4

About 1-[(4-cyclononylphenyl)-methoxymethyl]-4-methylpiperidine

1-[(4-cyclononylphenyl)-methoxymethyl]-4-methylpiperidine (PubChem CID 155274208) has the molecular formula C23H37NO and a molecular weight of 343.56 g/mol. Its IUPAC name is 1-[(4-cyclononylphenyl)-methoxymethyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[(4-cyclononylphenyl)-methoxymethyl]-4-methylpiperidine
PubChem CID155274208
Molecular FormulaC23H37NO
Molecular Weight343.56 g/mol
Exact Mass343.29
IUPAC Name1-[(4-cyclononylphenyl)-methoxymethyl]-4-methylpiperidine
SMILESCOC(c1ccc(C2CCCCCCCC2)cc1)N1CCC(C)CC1
InChIInChI=1S/C23H37NO/c1-19-15-17-24(18-16-19)23(25-2)22-13-11-21(12-14-22)20-9-7-5-3-4-6-8-10-20/h11-14,19-20,23H,3-10,15-18H2,1-2H3
InChIKeyLDILMWOEQGKOLV-UHFFFAOYSA-N
XLogP6.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.56
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(4-cyclononylphenyl)-methoxymethyl]-4-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(1-methoxyethyl)phenyl]cycloheptane
CID 143858990
1-cyclohexyl-4-methylbenzene;methoxymethane
CID 143168317
1-(4-cyclohexylphenyl)-N,N'-dimethylmethanediamine
CID 116954314
1-amino-1-(4-cyclohexylphenyl)-2-methylpropan-2-ol
CID 116942075
1-(4-cyclohexylphenyl)-N-methylethanamine
CID 43484988
(4-cyclohexylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 86877330
amino-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]methanol
CID 146177045
(4-cyclohexylphenyl)-(dimethylamino)methanethiol
CID 116909382
1-(4-cyclohexylphenyl)-N'-methylmethanediamine
CID 116939287
1-(1-chloro-2,2-dimethylpropyl)-4-cyclohexylbenzene
CID 63432566
4-[2-(4-cyclohexylphenyl)propan-2-yl]-1-propan-2-ylpiperidine
CID 146530215
(3R)-1-(4-cyclohexylphenyl)-3-methylpiperazine
CID 11543442

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclononylphenyl)-methoxymethyl]-4-methylpiperidine?
The IUPAC name of 1-[(4-cyclononylphenyl)-methoxymethyl]-4-methylpiperidine (CID 155274208) is 1-[(4-cyclononylphenyl)-methoxymethyl]-4-methylpiperidine.
What is the SMILES notation for 1-[(4-cyclononylphenyl)-methoxymethyl]-4-methylpiperidine?
The canonical SMILES for 1-[(4-cyclononylphenyl)-methoxymethyl]-4-methylpiperidine is COC(c1ccc(C2CCCCCCCC2)cc1)N1CCC(C)CC1.
What is the InChIKey of 1-[(4-cyclononylphenyl)-methoxymethyl]-4-methylpiperidine?
The InChIKey is LDILMWOEQGKOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO/c1-19-15-17-24(18-16-19)23(25-2)22-13-11-21(12-14-22)20-9-7-5-3-4-6-8-10-20/h11-14,19-20,23H,3-10,15-18H2,1-2H3.
What are the key properties of 1-[(4-cyclononylphenyl)-methoxymethyl]-4-methylpiperidine?
1-[(4-cyclononylphenyl)-methoxymethyl]-4-methylpiperidine has a molecular weight of 343.56 g/mol, XLogP of 6.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclononylphenyl)-methoxymethyl]-4-methylpiperidine is sourced from PubChem (CID 155274208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).