[1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-6-methylpiperidin-3-yl]-hydrazinylmethanol

C18H31N5O3 — CID 167166818

IUPAC[1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-6-methylpiperidin-3-yl]-hydrazinylmethanol
SMILESCC1CCC(C(O)NN)CN1c1cnn(C2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C18H31N5O3/c1-13-2-3-14(17(24)21-19)11-22(13)16-10-20-23(12-16)15-4-6-18(7-5-15)25-8-9-26-18/h10,12-15,17,21,24H,2-9,11,19H2,1H3
InChIKeyTVCAAISVFFIAOR-UHFFFAOYSA-N
MW365.48 g/mol
LogP1.13
Rot. Bonds4

About [1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-6-methylpiperidin-3-yl]-hydrazinylmethanol

[1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-6-methylpiperidin-3-yl]-hydrazinylmethanol (PubChem CID 167166818) has the molecular formula C18H31N5O3 and a molecular weight of 365.48 g/mol. Its IUPAC name is [1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-6-methylpiperidin-3-yl]-hydrazinylmethanol.

Molecular Properties

Compound Name[1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-6-methylpiperidin-3-yl]-hydrazinylmethanol
PubChem CID167166818
Molecular FormulaC18H31N5O3
Molecular Weight365.48 g/mol
Exact Mass365.24
IUPAC Name[1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-6-methylpiperidin-3-yl]-hydrazinylmethanol
SMILESCC1CCC(C(O)NN)CN1c1cnn(C2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C18H31N5O3/c1-13-2-3-14(17(24)21-19)11-22(13)16-10-20-23(12-16)15-4-6-18(7-5-15)25-8-9-26-18/h10,12-15,17,21,24H,2-9,11,19H2,1H3
InChIKeyTVCAAISVFFIAOR-UHFFFAOYSA-N
XLogP1.13
TPSA97.80 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-6-methylpiperidin-3-yl]-hydrazinylmethanol?
The IUPAC name of [1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-6-methylpiperidin-3-yl]-hydrazinylmethanol (CID 167166818) is [1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-6-methylpiperidin-3-yl]-hydrazinylmethanol.
What is the SMILES notation for [1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-6-methylpiperidin-3-yl]-hydrazinylmethanol?
The canonical SMILES for [1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-6-methylpiperidin-3-yl]-hydrazinylmethanol is CC1CCC(C(O)NN)CN1c1cnn(C2CCC3(CC2)OCCO3)c1.
What is the InChIKey of [1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-6-methylpiperidin-3-yl]-hydrazinylmethanol?
The InChIKey is TVCAAISVFFIAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O3/c1-13-2-3-14(17(24)21-19)11-22(13)16-10-20-23(12-16)15-4-6-18(7-5-15)25-8-9-26-18/h10,12-15,17,21,24H,2-9,11,19H2,1H3.
What are the key properties of [1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-6-methylpiperidin-3-yl]-hydrazinylmethanol?
[1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-6-methylpiperidin-3-yl]-hydrazinylmethanol has a molecular weight of 365.48 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-6-methylpiperidin-3-yl]-hydrazinylmethanol is sourced from PubChem (CID 167166818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).