1-[4-(aminomethyl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol

C16H26N2O2 — CID 43253309

IUPAC1-[4-(aminomethyl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)COc2ccc(CN)cc2)CC1
InChIInChI=1S/C16H26N2O2/c1-13-6-8-18(9-7-13)11-15(19)12-20-16-4-2-14(10-17)3-5-16/h2-5,13,15,19H,6-12,17H2,1H3
InChIKeySIPHUMNEHVQNDI-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.62
Rot. Bonds6

About 1-[4-(aminomethyl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol

1-[4-(aminomethyl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol (PubChem CID 43253309) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol
PubChem CID43253309
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[4-(aminomethyl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)COc2ccc(CN)cc2)CC1
InChIInChI=1S/C16H26N2O2/c1-13-6-8-18(9-7-13)11-15(19)12-20-16-4-2-14(10-17)3-5-16/h2-5,13,15,19H,6-12,17H2,1H3
InChIKeySIPHUMNEHVQNDI-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(4-methylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol
CID 753615
1-[4-(aminomethyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 43253320
1-[4-(aminomethyl)phenoxy]-3-(3-methoxypyrrolidin-1-yl)propan-2-ol
CID 103531177
1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 2939361
4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]benzoic acid
CID 6486810
1-[3-(aminomethyl)phenoxy]-3-(3-methylpyrrolidin-1-yl)propan-2-ol
CID 61221833
1-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenyl]ethanone
CID 4551855
1-[4-(aminomethyl)phenoxy]-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol
CID 43581219
N-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenyl]acetamide
CID 2962057
1-(3,4-dimethylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol chloride
CID 21237821
1-[4-(aminomethyl)phenoxy]-3-(2-methyl-1,4-oxazepan-4-yl)propan-2-ol
CID 62987229
(2R)-1-(4-methylpiperidin-1-yl)-3-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenoxy]propan-2-ol
CID 130269711

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-[4-(aminomethyl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol (CID 43253309) is 1-[4-(aminomethyl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-[4-(aminomethyl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-[4-(aminomethyl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol is CC1CCN(CC(O)COc2ccc(CN)cc2)CC1.
What is the InChIKey of 1-[4-(aminomethyl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is SIPHUMNEHVQNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13-6-8-18(9-7-13)11-15(19)12-20-16-4-2-14(10-17)3-5-16/h2-5,13,15,19H,6-12,17H2,1H3.
What are the key properties of 1-[4-(aminomethyl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol?
1-[4-(aminomethyl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 278.40 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 43253309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).