1-[3-methoxy-4-(piperidin-1-ylmethoxy)phenyl]propan-2-amine

C16H26N2O2 — CID 170891733

IUPAC1-[3-methoxy-4-(piperidin-1-ylmethoxy)phenyl]propan-2-amine
SMILESCOc1cc(CC(C)N)ccc1OCN1CCCCC1
InChIInChI=1S/C16H26N2O2/c1-13(17)10-14-6-7-15(16(11-14)19-2)20-12-18-8-4-3-5-9-18/h6-7,11,13H,3-5,8-10,12,17H2,1-2H3
InChIKeySBWYRIVAXDYATI-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.41
Rot. Bonds6

About 1-[3-methoxy-4-(piperidin-1-ylmethoxy)phenyl]propan-2-amine

1-[3-methoxy-4-(piperidin-1-ylmethoxy)phenyl]propan-2-amine (PubChem CID 170891733) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[3-methoxy-4-(piperidin-1-ylmethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-methoxy-4-(piperidin-1-ylmethoxy)phenyl]propan-2-amine
PubChem CID170891733
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[3-methoxy-4-(piperidin-1-ylmethoxy)phenyl]propan-2-amine
SMILESCOc1cc(CC(C)N)ccc1OCN1CCCCC1
InChIInChI=1S/C16H26N2O2/c1-13(17)10-14-6-7-15(16(11-14)19-2)20-12-18-8-4-3-5-9-18/h6-7,11,13H,3-5,8-10,12,17H2,1-2H3
InChIKeySBWYRIVAXDYATI-UHFFFAOYSA-N
XLogP2.41
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine
CID 61494131
1-[4-(3-chloropropoxy)-3-methoxyphenyl]propan-2-amine
CID 170864443
1-(3-methoxy-4-prop-2-enoxyphenyl)propan-2-amine
CID 60906895
3-[4-(2-aminopropyl)-2-methoxyphenoxy]propanamide
CID 60906561
N-[2-(azepan-1-yl)ethyl]-1-(3,4-dimethoxyphenyl)propan-2-amine
CID 119164926
1-[3-(3-ethoxy-4-methoxyphenyl)-2-methylpropyl]piperidine
CID 135225295
1-[4-[2-(2-chloroethoxy)ethoxy]-3-methoxyphenyl]propan-2-amine
CID 170864453
1-[3-methoxy-4-(2-methylidenebutoxy)phenyl]propan-2-amine
CID 66039492
1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine
CID 107692963
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N,N-dimethylacetamide
CID 54929408
(1S)-1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
CID 78936711
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60907017

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(piperidin-1-ylmethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-methoxy-4-(piperidin-1-ylmethoxy)phenyl]propan-2-amine (CID 170891733) is 1-[3-methoxy-4-(piperidin-1-ylmethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-methoxy-4-(piperidin-1-ylmethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-methoxy-4-(piperidin-1-ylmethoxy)phenyl]propan-2-amine is COc1cc(CC(C)N)ccc1OCN1CCCCC1.
What is the InChIKey of 1-[3-methoxy-4-(piperidin-1-ylmethoxy)phenyl]propan-2-amine?
The InChIKey is SBWYRIVAXDYATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13(17)10-14-6-7-15(16(11-14)19-2)20-12-18-8-4-3-5-9-18/h6-7,11,13H,3-5,8-10,12,17H2,1-2H3.
What are the key properties of 1-[3-methoxy-4-(piperidin-1-ylmethoxy)phenyl]propan-2-amine?
1-[3-methoxy-4-(piperidin-1-ylmethoxy)phenyl]propan-2-amine has a molecular weight of 278.40 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(piperidin-1-ylmethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 170891733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).