2-[4-(ethylaminomethyl)piperidin-1-yl]pyridine-4-carbonitrile

C14H20N4 — CID 80551978

IUPAC2-[4-(ethylaminomethyl)piperidin-1-yl]pyridine-4-carbonitrile
SMILESCCNCC1CCN(c2cc(C#N)ccn2)CC1
InChIInChI=1S/C14H20N4/c1-2-16-11-12-4-7-18(8-5-12)14-9-13(10-15)3-6-17-14/h3,6,9,12,16H,2,4-5,7-8,11H2,1H3
InChIKeyRWECBZJUUMGDHG-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.78
Rot. Bonds4

About 2-[4-(ethylaminomethyl)piperidin-1-yl]pyridine-4-carbonitrile

2-[4-(ethylaminomethyl)piperidin-1-yl]pyridine-4-carbonitrile (PubChem CID 80551978) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[4-(ethylaminomethyl)piperidin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(ethylaminomethyl)piperidin-1-yl]pyridine-4-carbonitrile
PubChem CID80551978
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-[4-(ethylaminomethyl)piperidin-1-yl]pyridine-4-carbonitrile
SMILESCCNCC1CCN(c2cc(C#N)ccn2)CC1
InChIInChI=1S/C14H20N4/c1-2-16-11-12-4-7-18(8-5-12)14-9-13(10-15)3-6-17-14/h3,6,9,12,16H,2,4-5,7-8,11H2,1H3
InChIKeyRWECBZJUUMGDHG-UHFFFAOYSA-N
XLogP1.78
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylaminomethyl)piperidin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-(ethylaminomethyl)piperidin-1-yl]pyridine-4-carbonitrile (CID 80551978) is 2-[4-(ethylaminomethyl)piperidin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-(ethylaminomethyl)piperidin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-(ethylaminomethyl)piperidin-1-yl]pyridine-4-carbonitrile is CCNCC1CCN(c2cc(C#N)ccn2)CC1.
What is the InChIKey of 2-[4-(ethylaminomethyl)piperidin-1-yl]pyridine-4-carbonitrile?
The InChIKey is RWECBZJUUMGDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-2-16-11-12-4-7-18(8-5-12)14-9-13(10-15)3-6-17-14/h3,6,9,12,16H,2,4-5,7-8,11H2,1H3.
What are the key properties of 2-[4-(ethylaminomethyl)piperidin-1-yl]pyridine-4-carbonitrile?
2-[4-(ethylaminomethyl)piperidin-1-yl]pyridine-4-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylaminomethyl)piperidin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 80551978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).