3-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine

C16H26N2O2 — CID 79732606

IUPAC3-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine
SMILESCOc1ccccc1CN1CCC(OCCCN)CC1
InChIInChI=1S/C16H26N2O2/c1-19-16-6-3-2-5-14(16)13-18-10-7-15(8-11-18)20-12-4-9-17/h2-3,5-6,15H,4,7-13,17H2,1H3
InChIKeyJWBNZDRSFKEXDH-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.03
Rot. Bonds7

About 3-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine

3-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine (PubChem CID 79732606) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine
PubChem CID79732606
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine
SMILESCOc1ccccc1CN1CCC(OCCCN)CC1
InChIInChI=1S/C16H26N2O2/c1-19-16-6-3-2-5-14(16)13-18-10-7-15(8-11-18)20-12-4-9-17/h2-3,5-6,15H,4,7-13,17H2,1H3
InChIKeyJWBNZDRSFKEXDH-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

1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 70277411
2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]benzamide
CID 79735005
3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79732597
4-chloro-1-[(2-methoxyphenyl)methyl]piperidine
CID 63389508
1-[4-(3-aminopropoxy)piperidin-1-yl]-4-(2-methoxyphenyl)-3-methylbutan-1-one
CID 119661795
3-[1-(1-benzothiophen-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine
CID 79736177
3-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79736901
3-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 114851329
3-[1-[(2-bromo-4-chlorophenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 81490932
3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 83090694
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 24904459
[8-[(2-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methanamine
CID 118759786

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine?
The IUPAC name of 3-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine (CID 79732606) is 3-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine?
The canonical SMILES for 3-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine is COc1ccccc1CN1CCC(OCCCN)CC1.
What is the InChIKey of 3-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine?
The InChIKey is JWBNZDRSFKEXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-19-16-6-3-2-5-14(16)13-18-10-7-15(8-11-18)20-12-4-9-17/h2-3,5-6,15H,4,7-13,17H2,1H3.
What are the key properties of 3-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine?
3-[1-[(2-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-[(2-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine is sourced from PubChem (CID 79732606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).