N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[3-(2-methoxypropyl)-2-pyridinyl]methyl]piperidin-4-amine

C23H34N4O — CID 68886355

IUPACN-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[3-(2-methoxypropyl)-2-pyridinyl]methyl]piperidin-4-amine
SMILESCOC(C)Cc1cccnc1CN(Cc1ncc(C)cc1C)C1CCNCC1
InChIInChI=1S/C23H34N4O/c1-17-12-18(2)22(26-14-17)15-27(21-7-10-24-11-8-21)16-23-20(6-5-9-25-23)13-19(3)28-4/h5-6,9,12,14,19,21,24H,7-8,10-11,13,15-16H2,1-4H3
InChIKeyWXTSEHNIVPIBQR-UHFFFAOYSA-N
MW382.55 g/mol
LogP3.43
Rot. Bonds8

About N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[3-(2-methoxypropyl)-2-pyridinyl]methyl]piperidin-4-amine

N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[3-(2-methoxypropyl)-2-pyridinyl]methyl]piperidin-4-amine (PubChem CID 68886355) has the molecular formula C23H34N4O and a molecular weight of 382.55 g/mol. Its IUPAC name is N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[3-(2-methoxypropyl)-2-pyridinyl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[3-(2-methoxypropyl)-2-pyridinyl]methyl]piperidin-4-amine
PubChem CID68886355
Molecular FormulaC23H34N4O
Molecular Weight382.55 g/mol
Exact Mass382.27
IUPAC NameN-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[3-(2-methoxypropyl)-2-pyridinyl]methyl]piperidin-4-amine
SMILESCOC(C)Cc1cccnc1CN(Cc1ncc(C)cc1C)C1CCNCC1
InChIInChI=1S/C23H34N4O/c1-17-12-18(2)22(26-14-17)15-27(21-7-10-24-11-8-21)16-23-20(6-5-9-25-23)13-19(3)28-4/h5-6,9,12,14,19,21,24H,7-8,10-11,13,15-16H2,1-4H3
InChIKeyWXTSEHNIVPIBQR-UHFFFAOYSA-N
XLogP3.43
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[3-(2-methoxypropyl)-2-pyridinyl]methyl]piperidin-4-amine?
The IUPAC name of N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[3-(2-methoxypropyl)-2-pyridinyl]methyl]piperidin-4-amine (CID 68886355) is N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[3-(2-methoxypropyl)-2-pyridinyl]methyl]piperidin-4-amine.
What is the SMILES notation for N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[3-(2-methoxypropyl)-2-pyridinyl]methyl]piperidin-4-amine?
The canonical SMILES for N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[3-(2-methoxypropyl)-2-pyridinyl]methyl]piperidin-4-amine is COC(C)Cc1cccnc1CN(Cc1ncc(C)cc1C)C1CCNCC1.
What is the InChIKey of N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[3-(2-methoxypropyl)-2-pyridinyl]methyl]piperidin-4-amine?
The InChIKey is WXTSEHNIVPIBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O/c1-17-12-18(2)22(26-14-17)15-27(21-7-10-24-11-8-21)16-23-20(6-5-9-25-23)13-19(3)28-4/h5-6,9,12,14,19,21,24H,7-8,10-11,13,15-16H2,1-4H3.
What are the key properties of N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[3-(2-methoxypropyl)-2-pyridinyl]methyl]piperidin-4-amine?
N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[3-(2-methoxypropyl)-2-pyridinyl]methyl]piperidin-4-amine has a molecular weight of 382.55 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[3-(2-methoxypropyl)-2-pyridinyl]methyl]piperidin-4-amine is sourced from PubChem (CID 68886355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).