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

C16H26N2O — CID 112678164

IUPAC1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1N1CCC(COC)CC1
InChIInChI=1S/C16H26N2O/c1-3-15(17)14-6-4-5-7-16(14)18-10-8-13(9-11-18)12-19-2/h4-7,13,15H,3,8-12,17H2,1-2H3
InChIKeyAEFDUQLALWDIQS-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.96
Rot. Bonds5

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

1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-1-amine (PubChem CID 112678164) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-1-amine
PubChem CID112678164
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1N1CCC(COC)CC1
InChIInChI=1S/C16H26N2O/c1-3-15(17)14-6-4-5-7-16(14)18-10-8-13(9-11-18)12-19-2/h4-7,13,15H,3,8-12,17H2,1-2H3
InChIKeyAEFDUQLALWDIQS-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]butan-2-amine
CID 63980496
(1S)-1-[2-(azepan-1-yl)phenyl]propan-1-amine
CID 103958428
1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-1-amine
CID 112677997
1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylpropan-1-amine
CID 112678178
1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-amine
CID 102959014
1-[2-(1-aminopropyl)phenyl]pyrrolidin-3-ol
CID 112678103
(1S)-1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 64597981
1-[2-(4-ethylpiperazin-1-yl)phenyl]propan-1-amine
CID 112677803
(1S)-1-[2-(4-tert-butylazepan-1-yl)phenyl]propan-1-amine
CID 103958962
2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile
CID 23293075
(1S)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]propan-1-amine
CID 104921336
2-[4-(methoxymethyl)piperidin-1-yl]-1-phenylethanamine
CID 63973658

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-1-amine?
The IUPAC name of 1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-1-amine (CID 112678164) is 1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-1-amine.
What is the SMILES notation for 1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-1-amine?
The canonical SMILES for 1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-1-amine is CCC(N)c1ccccc1N1CCC(COC)CC1.
What is the InChIKey of 1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-1-amine?
The InChIKey is AEFDUQLALWDIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-15(17)14-6-4-5-7-16(14)18-10-8-13(9-11-18)12-19-2/h4-7,13,15H,3,8-12,17H2,1-2H3.
What are the key properties of 1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-1-amine?
1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-1-amine is sourced from PubChem (CID 112678164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).