1-[4-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-2-amine

C16H26N2O — CID 63980117

IUPAC1-[4-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-2-amine
SMILESCOCC1CCN(c2ccc(CC(C)N)cc2)CC1
InChIInChI=1S/C16H26N2O/c1-13(17)11-14-3-5-16(6-4-14)18-9-7-15(8-10-18)12-19-2/h3-6,13,15H,7-12,17H2,1-2H3
InChIKeyUBVJENLNVHBKFM-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.44
Rot. Bonds5

About 1-[4-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-2-amine

1-[4-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-2-amine (PubChem CID 63980117) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[4-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-2-amine
PubChem CID63980117
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[4-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-2-amine
SMILESCOCC1CCN(c2ccc(CC(C)N)cc2)CC1
InChIInChI=1S/C16H26N2O/c1-13(17)11-14-3-5-16(6-4-14)18-9-7-15(8-10-18)12-19-2/h3-6,13,15H,7-12,17H2,1-2H3
InChIKeyUBVJENLNVHBKFM-UHFFFAOYSA-N
XLogP2.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-ethylpiperidin-1-yl)phenyl]propan-2-amine
CID 63817435
1-[4-(4-methylpiperidin-1-yl)phenyl]propan-2-amine
CID 63786073
1-[4-[4-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]propan-2-amine
CID 63980311
1-[4-(4-tert-butylpiperidin-1-yl)phenyl]propan-2-amine
CID 63794137
1-[4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine
CID 63786246
1-[4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylmethanamine
CID 64599616
1-[4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]propan-2-amine
CID 63794882
1-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]propan-2-amine
CID 63795052
N-[[4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]propan-1-amine
CID 64597384
4-[4-[3-(methoxymethyl)azetidin-1-yl]piperidin-1-yl]aniline
CID 171547177
4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbenzonitrile
CID 81282003
methyl 2-amino-3-[4-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]phenyl]propanoate;dihydrochloride
CID 18918539

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-2-amine?
The IUPAC name of 1-[4-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-2-amine (CID 63980117) is 1-[4-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-2-amine?
The canonical SMILES for 1-[4-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-2-amine is COCC1CCN(c2ccc(CC(C)N)cc2)CC1.
What is the InChIKey of 1-[4-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-2-amine?
The InChIKey is UBVJENLNVHBKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(17)11-14-3-5-16(6-4-14)18-9-7-15(8-10-18)12-19-2/h3-6,13,15H,7-12,17H2,1-2H3.
What are the key properties of 1-[4-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-2-amine?
1-[4-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-2-amine is sourced from PubChem (CID 63980117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).