N-[(1-methylpyrrolidin-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine

C16H26N4 — CID 103778968

IUPACN-[(1-methylpyrrolidin-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
SMILESCN1CCCC1CNC1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H26N4/c1-19-10-4-5-15(19)13-18-14-7-11-20(12-8-14)16-6-2-3-9-17-16/h2-3,6,9,14-15,18H,4-5,7-8,10-13H2,1H3
InChIKeyMXIHUPSVAHBCOS-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.73
Rot. Bonds4

About N-[(1-methylpyrrolidin-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine

N-[(1-methylpyrrolidin-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine (PubChem CID 103778968) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
PubChem CID103778968
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN-[(1-methylpyrrolidin-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
SMILESCN1CCCC1CNC1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H26N4/c1-19-10-4-5-15(19)13-18-14-7-11-20(12-8-14)16-6-2-3-9-17-16/h2-3,6,9,14-15,18H,4-5,7-8,10-13H2,1H3
InChIKeyMXIHUPSVAHBCOS-UHFFFAOYSA-N
XLogP1.73
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221122
N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675354
N-(2-methylsulfanylethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 63983974
1-benzyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperidin-4-amine
CID 112721976
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 102673300
N-[(4-ethylphenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 119126767
N-[(2-aminophenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 66387456
N-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 43675359
1-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 43761318
N-(2-phenylethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675384
N-(3-methylsulfanylpropyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675357
N',N'-diethyl-N-(1-pyridin-2-ylpiperidin-4-yl)ethane-1,2-diamine
CID 43761755

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine?
The IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine (CID 103778968) is N-[(1-methylpyrrolidin-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[(1-methylpyrrolidin-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine?
The canonical SMILES for N-[(1-methylpyrrolidin-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine is CN1CCCC1CNC1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[(1-methylpyrrolidin-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine?
The InChIKey is MXIHUPSVAHBCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-19-10-4-5-15(19)13-18-14-7-11-20(12-8-14)16-6-2-3-9-17-16/h2-3,6,9,14-15,18H,4-5,7-8,10-13H2,1H3.
What are the key properties of N-[(1-methylpyrrolidin-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine?
N-[(1-methylpyrrolidin-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine has a molecular weight of 274.41 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine is sourced from PubChem (CID 103778968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).