2-methoxy-4-[3-(3-piperidin-1-ylpropoxy)propyl]phenol

C18H29NO3 — CID 11978505

IUPAC2-methoxy-4-[3-(3-piperidin-1-ylpropoxy)propyl]phenol
SMILESCOc1cc(CCCOCCCN2CCCCC2)ccc1O
InChIInChI=1S/C18H29NO3/c1-21-18-15-16(8-9-17(18)20)7-5-13-22-14-6-12-19-10-3-2-4-11-19/h8-9,15,20H,2-7,10-14H2,1H3
InChIKeyLZBYHNQBCVTCLP-UHFFFAOYSA-N
MW307.43 g/mol
LogP3.23
Rot. Bonds9

About 2-methoxy-4-[3-(3-piperidin-1-ylpropoxy)propyl]phenol

2-methoxy-4-[3-(3-piperidin-1-ylpropoxy)propyl]phenol (PubChem CID 11978505) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is 2-methoxy-4-[3-(3-piperidin-1-ylpropoxy)propyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[3-(3-piperidin-1-ylpropoxy)propyl]phenol
PubChem CID11978505
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name2-methoxy-4-[3-(3-piperidin-1-ylpropoxy)propyl]phenol
SMILESCOc1cc(CCCOCCCN2CCCCC2)ccc1O
InChIInChI=1S/C18H29NO3/c1-21-18-15-16(8-9-17(18)20)7-5-13-22-14-6-12-19-10-3-2-4-11-19/h8-9,15,20H,2-7,10-14H2,1H3
InChIKeyLZBYHNQBCVTCLP-UHFFFAOYSA-N
XLogP3.23
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(2-hydroxyethoxy)propyl]-2-methoxyphenol
CID 11356573
2-ethoxy-4-(3-pyrrolidin-1-ylpropyl)phenol
CID 129295645
2-methoxy-4-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 28657716
1-[3-[3-(4-chloro-3-methylphenyl)propoxy]propyl]piperidine
CID 146327178
1-[3-[3-(4-fluoro-3-methylphenyl)propoxy]propyl]pyrrolidine
CID 11978616
1-[3-[3-[3-(4-chlorophenyl)propoxy]propoxy]propyl]piperidine
CID 175675428
1-[3-[4-butyl-2-(3-piperidin-1-ylpropoxy)phenoxy]propyl]piperidine
CID 131729850
2,3-dimethoxy-5-(2-piperidin-1-ylethyl)phenol
CID 174530545
4-[3-(3-hydroxydodecoxy)propyl]-2-methoxyphenol
CID 137432163
1-[3-(4-methoxyphenyl)propyl]piperidine
CID 42640027
1-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]azepane
CID 170863657
N-[3-(azepan-1-yl)propyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 92675634

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[3-(3-piperidin-1-ylpropoxy)propyl]phenol?
The IUPAC name of 2-methoxy-4-[3-(3-piperidin-1-ylpropoxy)propyl]phenol (CID 11978505) is 2-methoxy-4-[3-(3-piperidin-1-ylpropoxy)propyl]phenol.
What is the SMILES notation for 2-methoxy-4-[3-(3-piperidin-1-ylpropoxy)propyl]phenol?
The canonical SMILES for 2-methoxy-4-[3-(3-piperidin-1-ylpropoxy)propyl]phenol is COc1cc(CCCOCCCN2CCCCC2)ccc1O.
What is the InChIKey of 2-methoxy-4-[3-(3-piperidin-1-ylpropoxy)propyl]phenol?
The InChIKey is LZBYHNQBCVTCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-21-18-15-16(8-9-17(18)20)7-5-13-22-14-6-12-19-10-3-2-4-11-19/h8-9,15,20H,2-7,10-14H2,1H3.
What are the key properties of 2-methoxy-4-[3-(3-piperidin-1-ylpropoxy)propyl]phenol?
2-methoxy-4-[3-(3-piperidin-1-ylpropoxy)propyl]phenol has a molecular weight of 307.43 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[3-(3-piperidin-1-ylpropoxy)propyl]phenol is sourced from PubChem (CID 11978505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).