(2-bromophenyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone

C18H27BrN2O — CID 87011264

IUPAC(2-bromophenyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone
SMILESCCCCN(C)CC1CCN(C(=O)c2ccccc2Br)CC1
InChIInChI=1S/C18H27BrN2O/c1-3-4-11-20(2)14-15-9-12-21(13-10-15)18(22)16-7-5-6-8-17(16)19/h5-8,15H,3-4,9-14H2,1-2H3
InChIKeyZSVLBEYDYJVNEK-UHFFFAOYSA-N
MW367.33 g/mol
LogP4.03
Rot. Bonds6

About (2-bromophenyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone

(2-bromophenyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone (PubChem CID 87011264) has the molecular formula C18H27BrN2O and a molecular weight of 367.33 g/mol. Its IUPAC name is (2-bromophenyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromophenyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone
PubChem CID87011264
Molecular FormulaC18H27BrN2O
Molecular Weight367.33 g/mol
Exact Mass366.13
IUPAC Name(2-bromophenyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone
SMILESCCCCN(C)CC1CCN(C(=O)c2ccccc2Br)CC1
InChIInChI=1S/C18H27BrN2O/c1-3-4-11-20(2)14-15-9-12-21(13-10-15)18(22)16-7-5-6-8-17(16)19/h5-8,15H,3-4,9-14H2,1-2H3
InChIKeyZSVLBEYDYJVNEK-UHFFFAOYSA-N
XLogP4.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide
CID 113005882
(2-bromophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 60776073
(2-bromophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62348185
(2-aminophenyl)-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]methanone
CID 119947007
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide
CID 60505380
(2-bromo-5-methylphenyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 81002288
(2-bromophenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90494885
[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]methanone
CID 86949308
[4-(2-aminooxyethyl)piperidin-1-yl]-(2-bromophenyl)methanone
CID 84607755
1-(2-bromophenyl)-2-[cyclopropylmethyl(methyl)amino]ethanone
CID 60984093
[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 86824416
1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-2-methoxyethanone
CID 61244693

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone?
The IUPAC name of (2-bromophenyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone (CID 87011264) is (2-bromophenyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-bromophenyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-bromophenyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone is CCCCN(C)CC1CCN(C(=O)c2ccccc2Br)CC1.
What is the InChIKey of (2-bromophenyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone?
The InChIKey is ZSVLBEYDYJVNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2O/c1-3-4-11-20(2)14-15-9-12-21(13-10-15)18(22)16-7-5-6-8-17(16)19/h5-8,15H,3-4,9-14H2,1-2H3.
What are the key properties of (2-bromophenyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone?
(2-bromophenyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone has a molecular weight of 367.33 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 87011264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).