N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine

C18H27N5 — CID 77083518

IUPACN-[(1,4-dimethylpyrazol-5-yl)methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESCc1cnn(C)c1CN(Cc1ccncc1)C1CCN(C)CC1
InChIInChI=1S/C18H27N5/c1-15-12-20-22(3)18(15)14-23(13-16-4-8-19-9-5-16)17-6-10-21(2)11-7-17/h4-5,8-9,12,17H,6-7,10-11,13-14H2,1-3H3
InChIKeyOAVVELHNHXQNIT-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.22
Rot. Bonds5

About N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine

N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine (PubChem CID 77083518) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpyrazol-5-yl)methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
PubChem CID77083518
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC NameN-[(1,4-dimethylpyrazol-5-yl)methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESCc1cnn(C)c1CN(Cc1ccncc1)C1CCN(C)CC1
InChIInChI=1S/C18H27N5/c1-15-12-20-22(3)18(15)14-23(13-16-4-8-19-9-5-16)17-6-10-21(2)11-7-17/h4-5,8-9,12,17H,6-7,10-11,13-14H2,1-3H3
InChIKeyOAVVELHNHXQNIT-UHFFFAOYSA-N
XLogP2.22
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine?
The IUPAC name of N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine (CID 77083518) is N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine is Cc1cnn(C)c1CN(Cc1ccncc1)C1CCN(C)CC1.
What is the InChIKey of N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine?
The InChIKey is OAVVELHNHXQNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-15-12-20-22(3)18(15)14-23(13-16-4-8-19-9-5-16)17-6-10-21(2)11-7-17/h4-5,8-9,12,17H,6-7,10-11,13-14H2,1-3H3.
What are the key properties of N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine?
N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine has a molecular weight of 313.45 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 77083518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).