[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-3-yl]methanamine

C17H28N2O — CID 54794603

IUPAC[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-3-yl]methanamine
SMILESCC(C)COc1ccc(CN2CCCC(CN)C2)cc1
InChIInChI=1S/C17H28N2O/c1-14(2)13-20-17-7-5-15(6-8-17)11-19-9-3-4-16(10-18)12-19/h5-8,14,16H,3-4,9-13,18H2,1-2H3
InChIKeyRYDYISGTNHMKNI-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.89
Rot. Bonds6

About [1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-3-yl]methanamine

[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-3-yl]methanamine (PubChem CID 54794603) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is [1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-3-yl]methanamine
PubChem CID54794603
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-3-yl]methanamine
SMILESCC(C)COc1ccc(CN2CCCC(CN)C2)cc1
InChIInChI=1S/C17H28N2O/c1-14(2)13-20-17-7-5-15(6-8-17)11-19-9-3-4-16(10-18)12-19/h5-8,14,16H,3-4,9-13,18H2,1-2H3
InChIKeyRYDYISGTNHMKNI-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 42253835
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanamine
CID 18426222
[1-[(4-trimethylsilylphenyl)methyl]piperidin-3-yl]methanamine
CID 103438148
[1-[[4-(difluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride
CID 120836624
4-[[3-(aminomethyl)piperidin-1-yl]methyl]benzonitrile;hydrochloride
CID 66569597
[(3S)-1-[(4-ethenylphenyl)methyl]piperidin-3-yl]methanamine
CID 129493697
4-[[3-(aminomethyl)piperidin-1-yl]methyl]-N,N-diethylaniline
CID 54793813
[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915719
[1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 55030271
(1-benzylazepan-3-yl)methanamine
CID 15718476
3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propan-1-amine
CID 83982840
2-[4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenoxy]acetamide
CID 62069126

Frequently Asked Questions

What is the IUPAC name of [1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-3-yl]methanamine?
The IUPAC name of [1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-3-yl]methanamine (CID 54794603) is [1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-3-yl]methanamine.
What is the SMILES notation for [1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-3-yl]methanamine?
The canonical SMILES for [1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-3-yl]methanamine is CC(C)COc1ccc(CN2CCCC(CN)C2)cc1.
What is the InChIKey of [1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-3-yl]methanamine?
The InChIKey is RYDYISGTNHMKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(2)13-20-17-7-5-15(6-8-17)11-19-9-3-4-16(10-18)12-19/h5-8,14,16H,3-4,9-13,18H2,1-2H3.
What are the key properties of [1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-3-yl]methanamine?
[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-3-yl]methanamine has a molecular weight of 276.42 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 54794603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).