4-[4-(aminomethyl)-4-phenylpiperidin-1-yl]pyridine-2-carboxamide

C18H22N4O — CID 136569236

IUPAC4-[4-(aminomethyl)-4-phenylpiperidin-1-yl]pyridine-2-carboxamide
SMILESNCC1(c2ccccc2)CCN(c2ccnc(C(N)=O)c2)CC1
InChIInChI=1S/C18H22N4O/c19-13-18(14-4-2-1-3-5-14)7-10-22(11-8-18)15-6-9-21-16(12-15)17(20)23/h1-6,9,12H,7-8,10-11,13,19H2,(H2,20,23)
InChIKeyZSAZAWTULCSLLF-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.68
Rot. Bonds4

About 4-[4-(aminomethyl)-4-phenylpiperidin-1-yl]pyridine-2-carboxamide

4-[4-(aminomethyl)-4-phenylpiperidin-1-yl]pyridine-2-carboxamide (PubChem CID 136569236) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-4-phenylpiperidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(aminomethyl)-4-phenylpiperidin-1-yl]pyridine-2-carboxamide
PubChem CID136569236
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name4-[4-(aminomethyl)-4-phenylpiperidin-1-yl]pyridine-2-carboxamide
SMILESNCC1(c2ccccc2)CCN(c2ccnc(C(N)=O)c2)CC1
InChIInChI=1S/C18H22N4O/c19-13-18(14-4-2-1-3-5-14)7-10-22(11-8-18)15-6-9-21-16(12-15)17(20)23/h1-6,9,12H,7-8,10-11,13,19H2,(H2,20,23)
InChIKeyZSAZAWTULCSLLF-UHFFFAOYSA-N
XLogP1.68
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-4-phenylpiperidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of 4-[4-(aminomethyl)-4-phenylpiperidin-1-yl]pyridine-2-carboxamide (CID 136569236) is 4-[4-(aminomethyl)-4-phenylpiperidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-(aminomethyl)-4-phenylpiperidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-[4-(aminomethyl)-4-phenylpiperidin-1-yl]pyridine-2-carboxamide is NCC1(c2ccccc2)CCN(c2ccnc(C(N)=O)c2)CC1.
What is the InChIKey of 4-[4-(aminomethyl)-4-phenylpiperidin-1-yl]pyridine-2-carboxamide?
The InChIKey is ZSAZAWTULCSLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c19-13-18(14-4-2-1-3-5-14)7-10-22(11-8-18)15-6-9-21-16(12-15)17(20)23/h1-6,9,12H,7-8,10-11,13,19H2,(H2,20,23).
What are the key properties of 4-[4-(aminomethyl)-4-phenylpiperidin-1-yl]pyridine-2-carboxamide?
4-[4-(aminomethyl)-4-phenylpiperidin-1-yl]pyridine-2-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-4-phenylpiperidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 136569236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).