3,3-dimethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine

C17H28N2O — CID 120774958

IUPAC3,3-dimethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
SMILESCC(C)Oc1cccc(CN2CCC(N)C(C)(C)C2)c1
InChIInChI=1S/C17H28N2O/c1-13(2)20-15-7-5-6-14(10-15)11-19-9-8-16(18)17(3,4)12-19/h5-7,10,13,16H,8-9,11-12,18H2,1-4H3
InChIKeyRJGNKZYYBLLUCV-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.03
Rot. Bonds4

About 3,3-dimethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine

3,3-dimethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine (PubChem CID 120774958) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
PubChem CID120774958
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3,3-dimethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
SMILESCC(C)Oc1cccc(CN2CCC(N)C(C)(C)C2)c1
InChIInChI=1S/C17H28N2O/c1-13(2)20-15-7-5-6-14(10-15)11-19-9-8-16(18)17(3,4)12-19/h5-7,10,13,16H,8-9,11-12,18H2,1-4H3
InChIKeyRJGNKZYYBLLUCV-UHFFFAOYSA-N
XLogP3.03
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-ethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781917
3,3-dimethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-amine
CID 120776218
3,3-dimethyl-1-[(3-propoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 120781439
1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol
CID 51086648
3-methyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 79880248
3-ethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 81458177
3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethylbenzamide;hydrochloride
CID 120776525
3-amino-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107320746
3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N-methylbenzamide
CID 120776448
1-[(3,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781581
1-[[4-(difluoromethoxy)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774453
methyl 2-[4-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]phenoxy]propanoate;hydrochloride
CID 120781821

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine?
The IUPAC name of 3,3-dimethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine (CID 120774958) is 3,3-dimethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 3,3-dimethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 3,3-dimethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine is CC(C)Oc1cccc(CN2CCC(N)C(C)(C)C2)c1.
What is the InChIKey of 3,3-dimethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine?
The InChIKey is RJGNKZYYBLLUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)20-15-7-5-6-14(10-15)11-19-9-8-16(18)17(3,4)12-19/h5-7,10,13,16H,8-9,11-12,18H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine?
3,3-dimethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine has a molecular weight of 276.42 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 120774958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).