N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-propan-2-ylaniline

C18H30N2 — CID 43307715

IUPACN-[1-(1-ethylpiperidin-3-yl)ethyl]-4-propan-2-ylaniline
SMILESCCN1CCCC(C(C)Nc2ccc(C(C)C)cc2)C1
InChIInChI=1S/C18H30N2/c1-5-20-12-6-7-17(13-20)15(4)19-18-10-8-16(9-11-18)14(2)3/h8-11,14-15,17,19H,5-7,12-13H2,1-4H3
InChIKeySJDAIMHQAGYWIQ-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.34
Rot. Bonds5

About N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-propan-2-ylaniline

N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-propan-2-ylaniline (PubChem CID 43307715) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-propan-2-ylaniline.

Molecular Properties

Compound NameN-[1-(1-ethylpiperidin-3-yl)ethyl]-4-propan-2-ylaniline
PubChem CID43307715
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[1-(1-ethylpiperidin-3-yl)ethyl]-4-propan-2-ylaniline
SMILESCCN1CCCC(C(C)Nc2ccc(C(C)C)cc2)C1
InChIInChI=1S/C18H30N2/c1-5-20-12-6-7-17(13-20)15(4)19-18-10-8-16(9-11-18)14(2)3/h8-11,14-15,17,19H,5-7,12-13H2,1-4H3
InChIKeySJDAIMHQAGYWIQ-UHFFFAOYSA-N
XLogP4.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(1-ethylpiperidin-3-yl)ethylamino]benzonitrile
CID 43307943
N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-(trifluoromethyl)aniline
CID 43307675
[4-[1-(1-ethylpiperidin-3-yl)ethylamino]phenyl]urea
CID 43744846
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4-difluoroaniline
CID 43307811
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4,5-trifluoroaniline
CID 62810700
5-[1-(1-ethylpiperidin-3-yl)ethylamino]-1-propylpyridin-2-one
CID 60942690
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,5-dimethoxyaniline
CID 43307671
4-iodo-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308678
2,5-dichloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]aniline
CID 43307449
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3-ethynylaniline
CID 43307335
N-[3-[1-(1-ethylpiperidin-3-yl)ethylamino]phenyl]acetamide
CID 43307791
N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 43714859

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-propan-2-ylaniline?
The IUPAC name of N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-propan-2-ylaniline (CID 43307715) is N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-propan-2-ylaniline.
What is the SMILES notation for N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-propan-2-ylaniline?
The canonical SMILES for N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-propan-2-ylaniline is CCN1CCCC(C(C)Nc2ccc(C(C)C)cc2)C1.
What is the InChIKey of N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-propan-2-ylaniline?
The InChIKey is SJDAIMHQAGYWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-20-12-6-7-17(13-20)15(4)19-18-10-8-16(9-11-18)14(2)3/h8-11,14-15,17,19H,5-7,12-13H2,1-4H3.
What are the key properties of N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-propan-2-ylaniline?
N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-propan-2-ylaniline has a molecular weight of 274.45 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-propan-2-ylaniline is sourced from PubChem (CID 43307715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).