N-[1-(1-ethylpiperidin-3-yl)ethyl]-3-ethynylaniline

C17H24N2 — CID 43307335

IUPACN-[1-(1-ethylpiperidin-3-yl)ethyl]-3-ethynylaniline
SMILESC#Cc1cccc(NC(C)C2CCCN(CC)C2)c1
InChIInChI=1S/C17H24N2/c1-4-15-8-6-10-17(12-15)18-14(3)16-9-7-11-19(5-2)13-16/h1,6,8,10,12,14,16,18H,5,7,9,11,13H2,2-3H3
InChIKeyJPXRCTCMSAFONS-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.20
Rot. Bonds4

About N-[1-(1-ethylpiperidin-3-yl)ethyl]-3-ethynylaniline

N-[1-(1-ethylpiperidin-3-yl)ethyl]-3-ethynylaniline (PubChem CID 43307335) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[1-(1-ethylpiperidin-3-yl)ethyl]-3-ethynylaniline.

Molecular Properties

Compound NameN-[1-(1-ethylpiperidin-3-yl)ethyl]-3-ethynylaniline
PubChem CID43307335
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC NameN-[1-(1-ethylpiperidin-3-yl)ethyl]-3-ethynylaniline
SMILESC#Cc1cccc(NC(C)C2CCCN(CC)C2)c1
InChIInChI=1S/C17H24N2/c1-4-15-8-6-10-17(12-15)18-14(3)16-9-7-11-19(5-2)13-16/h1,6,8,10,12,14,16,18H,5,7,9,11,13H2,2-3H3
InChIKeyJPXRCTCMSAFONS-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[1-(1-ethylpiperidin-3-yl)ethylamino]phenyl]acetamide
CID 43307791
3-ethynyl-N-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]aniline
CID 93282608
4-[1-(1-ethylpiperidin-3-yl)ethylamino]benzonitrile
CID 43307943
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4-difluoroaniline
CID 43307811
N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-propan-2-ylaniline
CID 43307715
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4,5-trifluoroaniline
CID 62810700
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,5-dimethoxyaniline
CID 43307671
[3-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]methanol
CID 43714988
N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-(trifluoromethyl)aniline
CID 43307675
N-(3-ethynylphenyl)-1-propylazepan-4-amine
CID 65073177
[4-[1-(1-ethylpiperidin-3-yl)ethylamino]phenyl]urea
CID 43744846
1-(1-ethylpiperidin-3-yl)-N-[1-(3-fluorophenyl)ethyl]ethanamine
CID 43308467

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpiperidin-3-yl)ethyl]-3-ethynylaniline?
The IUPAC name of N-[1-(1-ethylpiperidin-3-yl)ethyl]-3-ethynylaniline (CID 43307335) is N-[1-(1-ethylpiperidin-3-yl)ethyl]-3-ethynylaniline.
What is the SMILES notation for N-[1-(1-ethylpiperidin-3-yl)ethyl]-3-ethynylaniline?
The canonical SMILES for N-[1-(1-ethylpiperidin-3-yl)ethyl]-3-ethynylaniline is C#Cc1cccc(NC(C)C2CCCN(CC)C2)c1.
What is the InChIKey of N-[1-(1-ethylpiperidin-3-yl)ethyl]-3-ethynylaniline?
The InChIKey is JPXRCTCMSAFONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-4-15-8-6-10-17(12-15)18-14(3)16-9-7-11-19(5-2)13-16/h1,6,8,10,12,14,16,18H,5,7,9,11,13H2,2-3H3.
What are the key properties of N-[1-(1-ethylpiperidin-3-yl)ethyl]-3-ethynylaniline?
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3-ethynylaniline has a molecular weight of 256.39 g/mol, XLogP of 3.20, 4 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]-3-ethynylaniline is sourced from PubChem (CID 43307335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).