N-[1-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylaniline

C17H28N2 — CID 43307621

IUPACN-[1-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylaniline
SMILESCC(C)c1ccccc1NC(C)C1CCN(C)CC1
InChIInChI=1S/C17H28N2/c1-13(2)16-7-5-6-8-17(16)18-14(3)15-9-11-19(4)12-10-15/h5-8,13-15,18H,9-12H2,1-4H3
InChIKeyAHDNCKRBIKAMTP-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.95
Rot. Bonds4

About N-[1-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylaniline

N-[1-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylaniline (PubChem CID 43307621) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[1-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylaniline.

Molecular Properties

Compound NameN-[1-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylaniline
PubChem CID43307621
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[1-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylaniline
SMILESCC(C)c1ccccc1NC(C)C1CCN(C)CC1
InChIInChI=1S/C17H28N2/c1-13(2)16-7-5-6-8-17(16)18-14(3)15-9-11-19(4)12-10-15/h5-8,13-15,18H,9-12H2,1-4H3
InChIKeyAHDNCKRBIKAMTP-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylethyl)-2-propan-2-ylaniline
CID 43192462
N-(1-cyclohexylethyl)-2-propan-2-ylaniline
CID 43759431
N-[1-(1-methylpiperidin-4-yl)ethyl]naphthalen-1-amine
CID 43307464
2-(difluoromethylsulfanyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
CID 43307604
N-[1-(1-methylpiperidin-4-yl)ethyl]-2-propoxyaniline
CID 43682215
2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide
CID 43694021
N,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide
CID 43734494
1-[2-[[(1R)-1-cyclopropylethyl]amino]phenyl]ethane-1,2-diol
CID 173469571
2-methoxy-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 43307485
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-propan-2-yloxyaniline
CID 43739139
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxyaniline
CID 43307486
1-N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726410

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylaniline?
The IUPAC name of N-[1-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylaniline (CID 43307621) is N-[1-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylaniline.
What is the SMILES notation for N-[1-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylaniline?
The canonical SMILES for N-[1-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylaniline is CC(C)c1ccccc1NC(C)C1CCN(C)CC1.
What is the InChIKey of N-[1-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylaniline?
The InChIKey is AHDNCKRBIKAMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13(2)16-7-5-6-8-17(16)18-14(3)15-9-11-19(4)12-10-15/h5-8,13-15,18H,9-12H2,1-4H3.
What are the key properties of N-[1-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylaniline?
N-[1-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylaniline has a molecular weight of 260.43 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylaniline is sourced from PubChem (CID 43307621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).