N-(piperidin-2-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine

C17H32N4 — CID 106623523

IUPACN-(piperidin-2-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCN(CC1CCCCN1)C(C)c1c(C)nn(C)c1C
InChIInChI=1S/C17H32N4/c1-6-11-21(12-16-9-7-8-10-18-16)15(4)17-13(2)19-20(5)14(17)3/h15-16,18H,6-12H2,1-5H3
InChIKeyPTNVTNJDFSUXBC-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.95
Rot. Bonds6

About N-(piperidin-2-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine

N-(piperidin-2-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine (PubChem CID 106623523) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
PubChem CID106623523
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC NameN-(piperidin-2-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCN(CC1CCCCN1)C(C)c1c(C)nn(C)c1C
InChIInChI=1S/C17H32N4/c1-6-11-21(12-16-9-7-8-10-18-16)15(4)17-13(2)19-20(5)14(17)3/h15-16,18H,6-12H2,1-5H3
InChIKeyPTNVTNJDFSUXBC-UHFFFAOYSA-N
XLogP2.95
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(pyrrolidin-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 106602715
N-[1-(5-methylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623202
N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623383
N-(piperidin-2-ylmethyl)-N-(1-pyridin-2-ylethyl)propan-1-amine
CID 106623353
N-ethyl-1,3,5-trimethyl-N-(piperidin-2-ylmethyl)pyrazole-4-carboxamide
CID 106626233
N-[1-(2-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623204
4-methyl-2-[1-[piperidin-2-ylmethyl(propyl)amino]ethyl]phenol
CID 106623363
N-ethyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 43274680
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622204
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine
CID 106603765
N-[1-(5-bromothiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623215
N-(piperidin-2-ylmethyl)-N-propyloctan-2-amine
CID 106623511

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-2-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-(piperidin-2-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine (CID 106623523) is N-(piperidin-2-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-(piperidin-2-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-(piperidin-2-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine is CCCN(CC1CCCCN1)C(C)c1c(C)nn(C)c1C.
What is the InChIKey of N-(piperidin-2-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine?
The InChIKey is PTNVTNJDFSUXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-6-11-21(12-16-9-7-8-10-18-16)15(4)17-13(2)19-20(5)14(17)3/h15-16,18H,6-12H2,1-5H3.
What are the key properties of N-(piperidin-2-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine?
N-(piperidin-2-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine has a molecular weight of 292.47 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 106623523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).