1-[2-methyl-4-(2-methylpentoxy)phenyl]piperidin-3-amine

C18H30N2O — CID 83138008

IUPAC1-[2-methyl-4-(2-methylpentoxy)phenyl]piperidin-3-amine
SMILESCCCC(C)COc1ccc(N2CCCC(N)C2)c(C)c1
InChIInChI=1S/C18H30N2O/c1-4-6-14(2)13-21-17-8-9-18(15(3)11-17)20-10-5-7-16(19)12-20/h8-9,11,14,16H,4-7,10,12-13,19H2,1-3H3
InChIKeyVQWIWOLLDABYML-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.74
Rot. Bonds6

About 1-[2-methyl-4-(2-methylpentoxy)phenyl]piperidin-3-amine

1-[2-methyl-4-(2-methylpentoxy)phenyl]piperidin-3-amine (PubChem CID 83138008) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[2-methyl-4-(2-methylpentoxy)phenyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[2-methyl-4-(2-methylpentoxy)phenyl]piperidin-3-amine
PubChem CID83138008
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-[2-methyl-4-(2-methylpentoxy)phenyl]piperidin-3-amine
SMILESCCCC(C)COc1ccc(N2CCCC(N)C2)c(C)c1
InChIInChI=1S/C18H30N2O/c1-4-6-14(2)13-21-17-8-9-18(15(3)11-17)20-10-5-7-16(19)12-20/h8-9,11,14,16H,4-7,10,12-13,19H2,1-3H3
InChIKeyVQWIWOLLDABYML-UHFFFAOYSA-N
XLogP3.74
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-fluoroethoxy)-2-methylphenyl]piperidin-3-amine
CID 83134821
1-(4-ethoxy-2-fluorophenyl)piperidin-3-amine
CID 65202172
1-(4-fluoro-2-methylphenyl)piperidin-3-amine
CID 54594111
1-[2-methyl-4-(3-methylbutoxy)phenyl]piperidin-4-amine
CID 83134267
4-(3-aminopiperidin-1-yl)-3-methylbenzoic acid
CID 63212722
1-[2-fluoro-4-(2-methylpentoxy)phenyl]-1,4-diazepane
CID 65202311
1-[4-(cyclopentylmethoxy)-2-methylphenyl]piperidin-4-amine
CID 83137977
1-[4-(2-ethylbutoxy)-3-methylphenyl]piperidin-3-amine
CID 82925713
4-(3-ethylpiperidin-1-yl)-3-methylaniline
CID 43584157
1-[4-(3-methoxypropoxy)-2-methylphenyl]piperidin-4-amine
CID 83134817
1-[3-methyl-4-(2-propan-2-yloxyethoxy)phenyl]piperidin-3-amine
CID 63214611
7-(2-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 114091344

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-(2-methylpentoxy)phenyl]piperidin-3-amine?
The IUPAC name of 1-[2-methyl-4-(2-methylpentoxy)phenyl]piperidin-3-amine (CID 83138008) is 1-[2-methyl-4-(2-methylpentoxy)phenyl]piperidin-3-amine.
What is the SMILES notation for 1-[2-methyl-4-(2-methylpentoxy)phenyl]piperidin-3-amine?
The canonical SMILES for 1-[2-methyl-4-(2-methylpentoxy)phenyl]piperidin-3-amine is CCCC(C)COc1ccc(N2CCCC(N)C2)c(C)c1.
What is the InChIKey of 1-[2-methyl-4-(2-methylpentoxy)phenyl]piperidin-3-amine?
The InChIKey is VQWIWOLLDABYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-6-14(2)13-21-17-8-9-18(15(3)11-17)20-10-5-7-16(19)12-20/h8-9,11,14,16H,4-7,10,12-13,19H2,1-3H3.
What are the key properties of 1-[2-methyl-4-(2-methylpentoxy)phenyl]piperidin-3-amine?
1-[2-methyl-4-(2-methylpentoxy)phenyl]piperidin-3-amine has a molecular weight of 290.45 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-(2-methylpentoxy)phenyl]piperidin-3-amine is sourced from PubChem (CID 83138008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).