N-[1-(4-methoxyphenyl)propan-2-yl]-1-propan-2-ylpiperidin-4-amine

C18H30N2O — CID 43508797

IUPACN-[1-(4-methoxyphenyl)propan-2-yl]-1-propan-2-ylpiperidin-4-amine
SMILESCOc1ccc(CC(C)NC2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C18H30N2O/c1-14(2)20-11-9-17(10-12-20)19-15(3)13-16-5-7-18(21-4)8-6-16/h5-8,14-15,17,19H,9-13H2,1-4H3
InChIKeyKEILNHUUQIFAIM-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.09
Rot. Bonds6

About N-[1-(4-methoxyphenyl)propan-2-yl]-1-propan-2-ylpiperidin-4-amine

N-[1-(4-methoxyphenyl)propan-2-yl]-1-propan-2-ylpiperidin-4-amine (PubChem CID 43508797) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propan-2-yl]-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propan-2-yl]-1-propan-2-ylpiperidin-4-amine
PubChem CID43508797
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[1-(4-methoxyphenyl)propan-2-yl]-1-propan-2-ylpiperidin-4-amine
SMILESCOc1ccc(CC(C)NC2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C18H30N2O/c1-14(2)20-11-9-17(10-12-20)19-15(3)13-16-5-7-18(21-4)8-6-16/h5-8,14-15,17,19H,9-13H2,1-4H3
InChIKeyKEILNHUUQIFAIM-UHFFFAOYSA-N
XLogP3.09
TPSA24.50 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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]cyclopropanamine
CID 82262623
N-[1-(4-methoxyphenyl)propan-2-yl]cycloheptanamine
CID 2846450
N-[1-(4-methoxyphenyl)propan-2-yl]-1-methylpiperidin-3-amine
CID 61210662
N-[(4-methoxyphenyl)methyl]-1-propan-2-ylazepan-4-amine
CID 65072733
N-[1-(4-propan-2-yloxyphenyl)propan-2-yl]cyclopropanamine
CID 82262595
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpiperidin-4-amine
CID 43373330
N-(4-methylpentan-2-yl)-1-propan-2-ylpiperidin-4-amine
CID 43206641
N-[1-(4-methoxyphenyl)propan-2-yl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79359265
5-methoxy-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol
CID 43206678
N-[4-(4-methoxyphenyl)butan-2-yl]cyclohexanamine
CID 43755987
4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide
CID 16895405
N-[1-(4-propan-2-ylphenyl)propan-2-yl]cyclopropanamine
CID 82262582

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propan-2-yl]-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)propan-2-yl]-1-propan-2-ylpiperidin-4-amine (CID 43508797) is N-[1-(4-methoxyphenyl)propan-2-yl]-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propan-2-yl]-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)propan-2-yl]-1-propan-2-ylpiperidin-4-amine is COc1ccc(CC(C)NC2CCN(C(C)C)CC2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propan-2-yl]-1-propan-2-ylpiperidin-4-amine?
The InChIKey is KEILNHUUQIFAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14(2)20-11-9-17(10-12-20)19-15(3)13-16-5-7-18(21-4)8-6-16/h5-8,14-15,17,19H,9-13H2,1-4H3.
What are the key properties of N-[1-(4-methoxyphenyl)propan-2-yl]-1-propan-2-ylpiperidin-4-amine?
N-[1-(4-methoxyphenyl)propan-2-yl]-1-propan-2-ylpiperidin-4-amine has a molecular weight of 290.45 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propan-2-yl]-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 43508797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).