N-methyl-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butan-1-amine

C16H27N3 — CID 81043974

IUPACN-methyl-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butan-1-amine
SMILESCC(CCN(C)Cc1ccccn1)C1CCCNC1
InChIInChI=1S/C16H27N3/c1-14(15-6-5-9-17-12-15)8-11-19(2)13-16-7-3-4-10-18-16/h3-4,7,10,14-15,17H,5-6,8-9,11-13H2,1-2H3
InChIKeyGOQOBJWSZRUDIL-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.54
Rot. Bonds6

About N-methyl-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butan-1-amine

N-methyl-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butan-1-amine (PubChem CID 81043974) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-methyl-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butan-1-amine
PubChem CID81043974
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-methyl-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butan-1-amine
SMILESCC(CCN(C)Cc1ccccn1)C1CCCNC1
InChIInChI=1S/C16H27N3/c1-14(15-6-5-9-17-12-15)8-11-19(2)13-16-7-3-4-10-18-16/h3-4,7,10,14-15,17H,5-6,8-9,11-13H2,1-2H3
InChIKeyGOQOBJWSZRUDIL-UHFFFAOYSA-N
XLogP2.54
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromophenyl)methyl]-N-methyl-3-piperidin-3-ylbutan-1-amine
CID 81044635
N-(azepan-4-yl)-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide
CID 122081130
3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide
CID 81043996
N-methyl-N-(pyridin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 94408610
N-benzyl-N-ethyl-3-piperidin-3-ylbutan-1-amine
CID 81043704
(3S)-N-propan-2-yl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 81129457
1-piperidin-3-yl-2-pyridin-2-ylethanol
CID 80560318
N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutan-1-amine
CID 81048888
N-methyl-2-piperidin-3-yl-N-(pyridin-2-ylmethyl)acetamide
CID 55105100
3-fluoro-N-methyl-N-(3-piperidin-3-ylbutyl)aniline
CID 81045794
N-methyl-2-morpholin-2-yl-N-(pyridin-2-ylmethyl)ethanamine
CID 66426851
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutan-1-amine
CID 81045714

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butan-1-amine?
The IUPAC name of N-methyl-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butan-1-amine (CID 81043974) is N-methyl-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butan-1-amine.
What is the SMILES notation for N-methyl-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butan-1-amine?
The canonical SMILES for N-methyl-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butan-1-amine is CC(CCN(C)Cc1ccccn1)C1CCCNC1.
What is the InChIKey of N-methyl-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butan-1-amine?
The InChIKey is GOQOBJWSZRUDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-14(15-6-5-9-17-12-15)8-11-19(2)13-16-7-3-4-10-18-16/h3-4,7,10,14-15,17H,5-6,8-9,11-13H2,1-2H3.
What are the key properties of N-methyl-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butan-1-amine?
N-methyl-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 81043974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).