N-[[3-(2,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine

C16H25N3 — CID 105073729

IUPACN-[[3-(2,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
SMILESCC1CCN(c2cnccc2CNC2CC2)C(C)C1
InChIInChI=1S/C16H25N3/c1-12-6-8-19(13(2)9-12)16-11-17-7-5-14(16)10-18-15-3-4-15/h5,7,11-13,15,18H,3-4,6,8-10H2,1-2H3
InChIKeyCBONUUYPNSQSMK-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.96
Rot. Bonds4

About N-[[3-(2,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine

N-[[3-(2,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 105073729) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[[3-(2,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(2,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
PubChem CID105073729
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-[[3-(2,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
SMILESCC1CCN(c2cnccc2CNC2CC2)C(C)C1
InChIInChI=1S/C16H25N3/c1-12-6-8-19(13(2)9-12)16-11-17-7-5-14(16)10-18-15-3-4-15/h5,7,11-13,15,18H,3-4,6,8-10H2,1-2H3
InChIKeyCBONUUYPNSQSMK-UHFFFAOYSA-N
XLogP2.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105073996
N-[[4-(2,4-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81247350
N-[[4-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 81250159
N-[[3-(2-ethylazepan-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105074483
3-bromo-4-(2,4-dimethylpiperidin-1-yl)pyridine
CID 104778409
N-[[3-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105073899
N-[[3-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine
CID 105073298
N-[[4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 102886795
3-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentan-1-amine
CID 114699208
N-[[3-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methyl]cyclopropanamine
CID 105073750
N-[[6-(2,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80636282
N-[[3-(3-methylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105074134

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(2,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine (CID 105073729) is N-[[3-(2,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(2,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(2,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine is CC1CCN(c2cnccc2CNC2CC2)C(C)C1.
What is the InChIKey of N-[[3-(2,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is CBONUUYPNSQSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-12-6-8-19(13(2)9-12)16-11-17-7-5-14(16)10-18-15-3-4-15/h5,7,11-13,15,18H,3-4,6,8-10H2,1-2H3.
What are the key properties of N-[[3-(2,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
N-[[3-(2,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine has a molecular weight of 259.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 105073729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).