3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine

C16H26N2O2 — CID 79732597

IUPAC3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine
SMILESCOc1cccc(CN2CCC(OCCCN)CC2)c1
InChIInChI=1S/C16H26N2O2/c1-19-16-5-2-4-14(12-16)13-18-9-6-15(7-10-18)20-11-3-8-17/h2,4-5,12,15H,3,6-11,13,17H2,1H3
InChIKeyZNZCRERETHAIQM-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.03
Rot. Bonds7

About 3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine

3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine (PubChem CID 79732597) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine
PubChem CID79732597
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine
SMILESCOc1cccc(CN2CCC(OCCCN)CC2)c1
InChIInChI=1S/C16H26N2O2/c1-19-16-5-2-4-14(12-16)13-18-9-6-15(7-10-18)20-11-3-8-17/h2,4-5,12,15H,3,6-11,13,17H2,1H3
InChIKeyZNZCRERETHAIQM-UHFFFAOYSA-N
XLogP2.03
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.03
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

3-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79732218
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
3-[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-amine
CID 43251514
3-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79732606
3-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79736901
2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyethanamine
CID 82692849
3-[3-[(3-methylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine
CID 14026189
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 61029194
3-[1-(furan-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine
CID 79732216
3-[3-(azepan-1-ylmethyl)phenoxy]propan-1-amine
CID 14625124
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine?
The IUPAC name of 3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine (CID 79732597) is 3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine?
The canonical SMILES for 3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine is COc1cccc(CN2CCC(OCCCN)CC2)c1.
What is the InChIKey of 3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine?
The InChIKey is ZNZCRERETHAIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-19-16-5-2-4-14(12-16)13-18-9-6-15(7-10-18)20-11-3-8-17/h2,4-5,12,15H,3,6-11,13,17H2,1H3.
What are the key properties of 3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine?
3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine is sourced from PubChem (CID 79732597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).