1-[3-[4-(aminomethyl)phenoxy]propyl]-4-methylpiperidin-4-ol

C16H26N2O2 — CID 81098070

IUPAC1-[3-[4-(aminomethyl)phenoxy]propyl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(CCCOc2ccc(CN)cc2)CC1
InChIInChI=1S/C16H26N2O2/c1-16(19)7-10-18(11-8-16)9-2-12-20-15-5-3-14(13-17)4-6-15/h3-6,19H,2,7-13,17H2,1H3
InChIKeyZWHFDYVBFWJHMB-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.76
Rot. Bonds6

About 1-[3-[4-(aminomethyl)phenoxy]propyl]-4-methylpiperidin-4-ol

1-[3-[4-(aminomethyl)phenoxy]propyl]-4-methylpiperidin-4-ol (PubChem CID 81098070) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[3-[4-(aminomethyl)phenoxy]propyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[3-[4-(aminomethyl)phenoxy]propyl]-4-methylpiperidin-4-ol
PubChem CID81098070
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[3-[4-(aminomethyl)phenoxy]propyl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(CCCOc2ccc(CN)cc2)CC1
InChIInChI=1S/C16H26N2O2/c1-16(19)7-10-18(11-8-16)9-2-12-20-15-5-3-14(13-17)4-6-15/h3-6,19H,2,7-13,17H2,1H3
InChIKeyZWHFDYVBFWJHMB-UHFFFAOYSA-N
XLogP1.76
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 81096927
4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzenesulfonamide
CID 80702716
1-[2-(4-chlorophenoxy)ethyl]-4-methylazepan-4-ol
CID 107407990
4-[3-(4,4-dimethylpiperidin-1-yl)propoxy]benzoic acid
CID 63074580
1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-amine;hydrate;dihydrochloride
CID 21472470
[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanamine
CID 139749924
4-[2-(4-hydroxy-4-methylazepan-1-yl)ethoxy]benzonitrile
CID 107404531
[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]phenyl]methanamine
CID 43585070
[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]methanamine
CID 115559167
[4-[3-(4-ethyl-3-methylpiperazin-1-yl)propoxy]phenyl]methanamine
CID 63604530
4-[3-(4-methylpiperazin-1-yl)propoxy]aniline
CID 22124604
4-methyl-1-[3-[2-(trifluoromethyl)phenoxy]propyl]piperidin-4-ol
CID 121418449

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(aminomethyl)phenoxy]propyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[3-[4-(aminomethyl)phenoxy]propyl]-4-methylpiperidin-4-ol (CID 81098070) is 1-[3-[4-(aminomethyl)phenoxy]propyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[3-[4-(aminomethyl)phenoxy]propyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[3-[4-(aminomethyl)phenoxy]propyl]-4-methylpiperidin-4-ol is CC1(O)CCN(CCCOc2ccc(CN)cc2)CC1.
What is the InChIKey of 1-[3-[4-(aminomethyl)phenoxy]propyl]-4-methylpiperidin-4-ol?
The InChIKey is ZWHFDYVBFWJHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(19)7-10-18(11-8-16)9-2-12-20-15-5-3-14(13-17)4-6-15/h3-6,19H,2,7-13,17H2,1H3.
What are the key properties of 1-[3-[4-(aminomethyl)phenoxy]propyl]-4-methylpiperidin-4-ol?
1-[3-[4-(aminomethyl)phenoxy]propyl]-4-methylpiperidin-4-ol has a molecular weight of 278.40 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(aminomethyl)phenoxy]propyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 81098070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).