3-bromo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline

C14H21BrN2 — CID 43307884

IUPAC3-bromo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
SMILESCC(Nc1cccc(Br)c1)C1CCCN(C)C1
InChIInChI=1S/C14H21BrN2/c1-11(12-5-4-8-17(2)10-12)16-14-7-3-6-13(15)9-14/h3,6-7,9,11-12,16H,4-5,8,10H2,1-2H3
InChIKeyXDSULGJCBDUNAP-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.59
Rot. Bonds3

About 3-bromo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline

3-bromo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline (PubChem CID 43307884) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 3-bromo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline.

Molecular Properties

Compound Name3-bromo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
PubChem CID43307884
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name3-bromo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
SMILESCC(Nc1cccc(Br)c1)C1CCCN(C)C1
InChIInChI=1S/C14H21BrN2/c1-11(12-5-4-8-17(2)10-12)16-14-7-3-6-13(15)9-14/h3,6-7,9,11-12,16H,4-5,8,10H2,1-2H3
InChIKeyXDSULGJCBDUNAP-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(methoxymethyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43672047
3-ethoxy-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 54865598
N-[1-(1-methylpiperidin-3-yl)ethyl]-3-pyrazol-1-ylaniline
CID 43739906
4-iodo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43308680
N-[1-(1-methylpiperidin-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
CID 60936185
N-[1-(3-bromophenyl)ethyl]-1-methylpiperidin-3-amine
CID 61210641
2-fluoro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenol
CID 64795007
N-[1-(1-methylpiperidin-3-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 43307584
2-chloro-5-[1-(1-methylpiperidin-3-yl)ethylamino]benzonitrile
CID 43686795
2-bromo-4-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 81263405
4-(difluoromethoxy)-3-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 60943233
3-iodo-2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 113368981

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline?
The IUPAC name of 3-bromo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline (CID 43307884) is 3-bromo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline.
What is the SMILES notation for 3-bromo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline?
The canonical SMILES for 3-bromo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline is CC(Nc1cccc(Br)c1)C1CCCN(C)C1.
What is the InChIKey of 3-bromo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline?
The InChIKey is XDSULGJCBDUNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-11(12-5-4-8-17(2)10-12)16-14-7-3-6-13(15)9-14/h3,6-7,9,11-12,16H,4-5,8,10H2,1-2H3.
What are the key properties of 3-bromo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline?
3-bromo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline has a molecular weight of 297.24 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline is sourced from PubChem (CID 43307884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).