1-[1-[5-(3-methoxybutyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine

C14H27N5O — CID 102800233

IUPAC1-[1-[5-(3-methoxybutyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(c2n[nH]c(CCC(C)OC)n2)CC1
InChIInChI=1S/C14H27N5O/c1-11(20-3)4-5-13-16-14(18-17-13)19-8-6-12(7-9-19)10-15-2/h11-12,15H,4-10H2,1-3H3,(H,16,17,18)
InChIKeySXWZAQOTHXZMKF-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.21
Rot. Bonds7

About 1-[1-[5-(3-methoxybutyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine

1-[1-[5-(3-methoxybutyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine (PubChem CID 102800233) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[1-[5-(3-methoxybutyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[5-(3-methoxybutyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine
PubChem CID102800233
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name1-[1-[5-(3-methoxybutyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(c2n[nH]c(CCC(C)OC)n2)CC1
InChIInChI=1S/C14H27N5O/c1-11(20-3)4-5-13-16-14(18-17-13)19-8-6-12(7-9-19)10-15-2/h11-12,15H,4-10H2,1-3H3,(H,16,17,18)
InChIKeySXWZAQOTHXZMKF-UHFFFAOYSA-N
XLogP1.21
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[5-(cyclobutylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine
CID 103162652
N-methyl-1-[1-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800134
1-[1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine
CID 102800196
N-methyl-1-[1-[5-[2-(oxolan-2-yl)ethyl]-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800111
1-[1-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine
CID 102799675
N-[[1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]ethanamine
CID 102799345
N-methyl-1-[1-[5-(2-methylbutan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800149
N-methyl-1-[1-[5-(thiolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800095
N-methyl-1-[1-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine
CID 102800138
1-[1-[5-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine
CID 102799650
N-methyl-1-[1-[5-(2-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800155
N-methyl-1-[1-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800069

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(3-methoxybutyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[5-(3-methoxybutyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine (CID 102800233) is 1-[1-[5-(3-methoxybutyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[5-(3-methoxybutyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[5-(3-methoxybutyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine is CNCC1CCN(c2n[nH]c(CCC(C)OC)n2)CC1.
What is the InChIKey of 1-[1-[5-(3-methoxybutyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine?
The InChIKey is SXWZAQOTHXZMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-11(20-3)4-5-13-16-14(18-17-13)19-8-6-12(7-9-19)10-15-2/h11-12,15H,4-10H2,1-3H3,(H,16,17,18).
What are the key properties of 1-[1-[5-(3-methoxybutyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine?
1-[1-[5-(3-methoxybutyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine has a molecular weight of 281.40 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(3-methoxybutyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 102800233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).