[4-[(dimethylamino)methyl]piperidin-1-yl]-piperidin-3-ylmethanone

C14H27N3O — CID 54874476

IUPAC[4-[(dimethylamino)methyl]piperidin-1-yl]-piperidin-3-ylmethanone
SMILESCN(C)CC1CCN(C(=O)C2CCCNC2)CC1
InChIInChI=1S/C14H27N3O/c1-16(2)11-12-5-8-17(9-6-12)14(18)13-4-3-7-15-10-13/h12-13,15H,3-11H2,1-2H3
InChIKeyMWGRFHCXRMBTRZ-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.79
Rot. Bonds3

About [4-[(dimethylamino)methyl]piperidin-1-yl]-piperidin-3-ylmethanone

[4-[(dimethylamino)methyl]piperidin-1-yl]-piperidin-3-ylmethanone (PubChem CID 54874476) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]piperidin-1-yl]-piperidin-3-ylmethanone.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]piperidin-1-yl]-piperidin-3-ylmethanone
PubChem CID54874476
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name[4-[(dimethylamino)methyl]piperidin-1-yl]-piperidin-3-ylmethanone
SMILESCN(C)CC1CCN(C(=O)C2CCCNC2)CC1
InChIInChI=1S/C14H27N3O/c1-16(2)11-12-5-8-17(9-6-12)14(18)13-4-3-7-15-10-13/h12-13,15H,3-11H2,1-2H3
InChIKeyMWGRFHCXRMBTRZ-UHFFFAOYSA-N
XLogP0.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129798
[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 119895885
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
piperidin-3-yl-(3-propylpyrrolidin-1-yl)methanone
CID 115734206
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 114797503
1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide
CID 7183153
[4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 81128684
[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 129380230
acetaldehyde;methane;[(3S)-piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydroiodide
CID 142545183
[(3S)-piperidin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 81129587
piperidin-3-yl-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119894675

Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylamino)methyl]piperidin-1-yl]-piperidin-3-ylmethanone?
The IUPAC name of [4-[(dimethylamino)methyl]piperidin-1-yl]-piperidin-3-ylmethanone (CID 54874476) is [4-[(dimethylamino)methyl]piperidin-1-yl]-piperidin-3-ylmethanone.
What is the SMILES notation for [4-[(dimethylamino)methyl]piperidin-1-yl]-piperidin-3-ylmethanone?
The canonical SMILES for [4-[(dimethylamino)methyl]piperidin-1-yl]-piperidin-3-ylmethanone is CN(C)CC1CCN(C(=O)C2CCCNC2)CC1.
What is the InChIKey of [4-[(dimethylamino)methyl]piperidin-1-yl]-piperidin-3-ylmethanone?
The InChIKey is MWGRFHCXRMBTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-16(2)11-12-5-8-17(9-6-12)14(18)13-4-3-7-15-10-13/h12-13,15H,3-11H2,1-2H3.
What are the key properties of [4-[(dimethylamino)methyl]piperidin-1-yl]-piperidin-3-ylmethanone?
[4-[(dimethylamino)methyl]piperidin-1-yl]-piperidin-3-ylmethanone has a molecular weight of 253.39 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylamino)methyl]piperidin-1-yl]-piperidin-3-ylmethanone is sourced from PubChem (CID 54874476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).