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

C16H26N2O — CID 79880248

IUPAC3-methyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
SMILESCC(C)Oc1cccc(CN2CCC(N)C(C)C2)c1
InChIInChI=1S/C16H26N2O/c1-12(2)19-15-6-4-5-14(9-15)11-18-8-7-16(17)13(3)10-18/h4-6,9,12-13,16H,7-8,10-11,17H2,1-3H3
InChIKeySYIMJFIBMBYVMD-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.64
Rot. Bonds4

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

3-methyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine (PubChem CID 79880248) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-methyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name3-methyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
PubChem CID79880248
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-methyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
SMILESCC(C)Oc1cccc(CN2CCC(N)C(C)C2)c1
InChIInChI=1S/C16H26N2O/c1-12(2)19-15-6-4-5-14(9-15)11-18-8-7-16(17)13(3)10-18/h4-6,9,12-13,16H,7-8,10-11,17H2,1-3H3
InChIKeySYIMJFIBMBYVMD-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 81458177
3-methyl-1-[(3-phenoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 119925173
3,3-dimethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 120774958
1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol
CID 51086648
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997
[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915719
2-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728273
4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
CID 107104811
2-[1-[(3-propan-2-yloxyphenyl)methyl]azetidin-3-yl]propanoic acid
CID 116684643
4-[1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine
CID 70784455
1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79879309
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine?
The IUPAC name of 3-methyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine (CID 79880248) is 3-methyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 3-methyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 3-methyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine is CC(C)Oc1cccc(CN2CCC(N)C(C)C2)c1.
What is the InChIKey of 3-methyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine?
The InChIKey is SYIMJFIBMBYVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)19-15-6-4-5-14(9-15)11-18-8-7-16(17)13(3)10-18/h4-6,9,12-13,16H,7-8,10-11,17H2,1-3H3.
What are the key properties of 3-methyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine?
3-methyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine has a molecular weight of 262.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 79880248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).