[1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride

C17H31ClN6O — CID 120836097

IUPAC[1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
SMILESCC(C)(C)n1cc(CN2CCCC(C(=O)N3CCNCC3)C2)nn1.Cl
InChIInChI=1S/C17H30N6O.ClH/c1-17(2,3)23-13-15(19-20-23)12-21-8-4-5-14(11-21)16(24)22-9-6-18-7-10-22;/h13-14,18H,4-12H2,1-3H3;1H
InChIKeyRFMWIHCAIUEMEC-UHFFFAOYSA-N
MW370.93 g/mol
LogP1.10
Rot. Bonds3

About [1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride

[1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride (PubChem CID 120836097) has the molecular formula C17H31ClN6O and a molecular weight of 370.93 g/mol. Its IUPAC name is [1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
PubChem CID120836097
Molecular FormulaC17H31ClN6O
Molecular Weight370.93 g/mol
Exact Mass370.22
IUPAC Name[1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
SMILESCC(C)(C)n1cc(CN2CCCC(C(=O)N3CCNCC3)C2)nn1.Cl
InChIInChI=1S/C17H30N6O.ClH/c1-17(2,3)23-13-15(19-20-23)12-21-8-4-5-14(11-21)16(24)22-9-6-18-7-10-22;/h13-14,18H,4-12H2,1-3H3;1H
InChIKeyRFMWIHCAIUEMEC-UHFFFAOYSA-N
XLogP1.10
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.93
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-tert-butyltriazol-4-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 120837955
(1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone
CID 119915515
[1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]methanamine
CID 120836716
[1-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 120836090
(3S)-1-[(1-tert-butyltriazol-4-yl)methyl]-3-methylpiperazine;hydrochloride
CID 120845822
[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 120836012
[1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone
CID 120836185
1,4-diazepan-1-yl-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone;dihydrochloride
CID 119418013
[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 120836180
[1-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone
CID 120836162
[1-[(1-tert-butylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 84592565
[1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 120836030

Frequently Asked Questions

What is the IUPAC name of [1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride?
The IUPAC name of [1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride (CID 120836097) is [1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for [1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for [1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride is CC(C)(C)n1cc(CN2CCCC(C(=O)N3CCNCC3)C2)nn1.Cl.
What is the InChIKey of [1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is RFMWIHCAIUEMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O.ClH/c1-17(2,3)23-13-15(19-20-23)12-21-8-4-5-14(11-21)16(24)22-9-6-18-7-10-22;/h13-14,18H,4-12H2,1-3H3;1H.
What are the key properties of [1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride?
[1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride has a molecular weight of 370.93 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 120836097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).