(4-bromophenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone

C19H27BrN2O — CID 17011291

IUPAC(4-bromophenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Br)cc1)N1CCCCC1CCN1CCCCC1
InChIInChI=1S/C19H27BrN2O/c20-17-9-7-16(8-10-17)19(23)22-14-5-2-6-18(22)11-15-21-12-3-1-4-13-21/h7-10,18H,1-6,11-15H2
InChIKeyDMCYYQGXWXLINC-UHFFFAOYSA-N
MW379.34 g/mol
LogP4.32
Rot. Bonds4

About (4-bromophenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone

(4-bromophenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone (PubChem CID 17011291) has the molecular formula C19H27BrN2O and a molecular weight of 379.34 g/mol. Its IUPAC name is (4-bromophenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
PubChem CID17011291
Molecular FormulaC19H27BrN2O
Molecular Weight379.34 g/mol
Exact Mass378.13
IUPAC Name(4-bromophenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Br)cc1)N1CCCCC1CCN1CCCCC1
InChIInChI=1S/C19H27BrN2O/c20-17-9-7-16(8-10-17)19(23)22-14-5-2-6-18(22)11-15-21-12-3-1-4-13-21/h7-10,18H,1-6,11-15H2
InChIKeyDMCYYQGXWXLINC-UHFFFAOYSA-N
XLogP4.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 29348390
phenyl-[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
CID 40776058
phenyl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29348343
[2-(2-bromoethyl)piperidin-1-yl]-(4-bromophenyl)methanone
CID 80666598
pyridin-4-yl-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 95111669
phenyl-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride
CID 52984889
(4-bromophenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11965129
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 23607119
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(4-propoxyphenyl)methanone
CID 17013777
2-[1-(4-bromobenzoyl)piperidin-2-yl]acetic acid
CID 54899712
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 23607107
[(2R)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 26819143

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-bromophenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone (CID 17011291) is (4-bromophenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone is O=C(c1ccc(Br)cc1)N1CCCCC1CCN1CCCCC1.
What is the InChIKey of (4-bromophenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone?
The InChIKey is DMCYYQGXWXLINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrN2O/c20-17-9-7-16(8-10-17)19(23)22-14-5-2-6-18(22)11-15-21-12-3-1-4-13-21/h7-10,18H,1-6,11-15H2.
What are the key properties of (4-bromophenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone?
(4-bromophenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone has a molecular weight of 379.34 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 17011291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).