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

C17H28N2O — CID 63980496

IUPAC1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]butan-2-amine
SMILESCCC(N)Cc1ccccc1N1CCC(COC)CC1
InChIInChI=1S/C17H28N2O/c1-3-16(18)12-15-6-4-5-7-17(15)19-10-8-14(9-11-19)13-20-2/h4-7,14,16H,3,8-13,18H2,1-2H3
InChIKeyDLQUDCLXWKQASD-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.83
Rot. Bonds6

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

1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]butan-2-amine (PubChem CID 63980496) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]butan-2-amine
PubChem CID63980496
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]butan-2-amine
SMILESCCC(N)Cc1ccccc1N1CCC(COC)CC1
InChIInChI=1S/C17H28N2O/c1-3-16(18)12-15-6-4-5-7-17(15)19-10-8-14(9-11-19)13-20-2/h4-7,14,16H,3,8-13,18H2,1-2H3
InChIKeyDLQUDCLXWKQASD-UHFFFAOYSA-N
XLogP2.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-pyrrolidin-1-ylphenyl)butan-2-amine
CID 63787070
1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-1-amine
CID 112678164
N-[[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]methyl]cyclopropanamine
CID 63972921
1-[2-(4,4-dimethylazepan-1-yl)phenyl]butan-2-amine
CID 65286445
1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine
CID 66371244
1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]butan-2-amine
CID 63793471
1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]butan-2-amine
CID 63794003
2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile
CID 23293075
1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]butan-2-amine
CID 63794140
2-[4-(methoxymethyl)piperidin-1-yl]benzoic acid
CID 63971544
1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylpropan-1-amine
CID 112678178
1-[4-[4-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]propan-2-amine
CID 63980311

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]butan-2-amine?
The IUPAC name of 1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]butan-2-amine (CID 63980496) is 1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]butan-2-amine.
What is the SMILES notation for 1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]butan-2-amine?
The canonical SMILES for 1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]butan-2-amine is CCC(N)Cc1ccccc1N1CCC(COC)CC1.
What is the InChIKey of 1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]butan-2-amine?
The InChIKey is DLQUDCLXWKQASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-16(18)12-15-6-4-5-7-17(15)19-10-8-14(9-11-19)13-20-2/h4-7,14,16H,3,8-13,18H2,1-2H3.
What are the key properties of 1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]butan-2-amine?
1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]butan-2-amine has a molecular weight of 276.42 g/mol, XLogP of 2.83, 6 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]butan-2-amine is sourced from PubChem (CID 63980496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).