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

C16H26N2O — CID 117411192

IUPAC2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]propan-2-amine
SMILESCOc1ccc(C(C)(C)N)cc1CN1CCCCC1
InChIInChI=1S/C16H26N2O/c1-16(2,17)14-7-8-15(19-3)13(11-14)12-18-9-5-4-6-10-18/h7-8,11H,4-6,9-10,12,17H2,1-3H3
InChIKeyOUYWESLWTPJZAU-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.87
Rot. Bonds4

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

2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]propan-2-amine (PubChem CID 117411192) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]propan-2-amine
PubChem CID117411192
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]propan-2-amine
SMILESCOc1ccc(C(C)(C)N)cc1CN1CCCCC1
InChIInChI=1S/C16H26N2O/c1-16(2,17)14-7-8-15(19-3)13(11-14)12-18-9-5-4-6-10-18/h7-8,11H,4-6,9-10,12,17H2,1-3H3
InChIKeyOUYWESLWTPJZAU-UHFFFAOYSA-N
XLogP2.87
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[5-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]piperazine
CID 117429097
(2R)-2-amino-2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol
CID 66515878
1-[(5-bromo-2-methoxyphenyl)methyl]azetidine
CID 130159732
2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]-2-oxoacetic acid
CID 117444225
1-[(2,3,4-trimethoxyphenyl)methyl]azepane
CID 23736534
[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methanol
CID 46785371
[2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)phenyl]boronic acid
CID 58734126
3-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-1-methylpyrazol-5-amine
CID 117462074
1-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]azepane
CID 170863657
3-methoxy-4-(piperidin-1-ylmethyl)benzoic acid
CID 117219368
(2S)-2-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]propanamide
CID 39794294
3-[4-[(5-chloro-2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-amine
CID 43646650

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]propan-2-amine?
The IUPAC name of 2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]propan-2-amine (CID 117411192) is 2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]propan-2-amine.
What is the SMILES notation for 2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]propan-2-amine?
The canonical SMILES for 2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]propan-2-amine is COc1ccc(C(C)(C)N)cc1CN1CCCCC1.
What is the InChIKey of 2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]propan-2-amine?
The InChIKey is OUYWESLWTPJZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(2,17)14-7-8-15(19-3)13(11-14)12-18-9-5-4-6-10-18/h7-8,11H,4-6,9-10,12,17H2,1-3H3.
What are the key properties of 2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]propan-2-amine?
2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]propan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]propan-2-amine is sourced from PubChem (CID 117411192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).