(Z)-1-[4-(aminomethyl)piperidin-1-yl]pent-2-en-2-ol

C11H22N2O — CID 142118024

IUPAC(Z)-1-[4-(aminomethyl)piperidin-1-yl]pent-2-en-2-ol
SMILESCC/C=C(\O)CN1CCC(CN)CC1
InChIInChI=1S/C11H22N2O/c1-2-3-11(14)9-13-6-4-10(8-12)5-7-13/h3,10,14H,2,4-9,12H2,1H3/b11-3-
InChIKeyHJNYRVYPXUNPLQ-JYOAFUTRSA-N
MW198.31 g/mol
LogP1.51
Rot. Bonds4

About (Z)-1-[4-(aminomethyl)piperidin-1-yl]pent-2-en-2-ol

(Z)-1-[4-(aminomethyl)piperidin-1-yl]pent-2-en-2-ol (PubChem CID 142118024) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (Z)-1-[4-(aminomethyl)piperidin-1-yl]pent-2-en-2-ol.

Molecular Properties

Compound Name(Z)-1-[4-(aminomethyl)piperidin-1-yl]pent-2-en-2-ol
PubChem CID142118024
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(Z)-1-[4-(aminomethyl)piperidin-1-yl]pent-2-en-2-ol
SMILESCC/C=C(\O)CN1CCC(CN)CC1
InChIInChI=1S/C11H22N2O/c1-2-3-11(14)9-13-6-4-10(8-12)5-7-13/h3,10,14H,2,4-9,12H2,1H3/b11-3-
InChIKeyHJNYRVYPXUNPLQ-JYOAFUTRSA-N
XLogP1.51
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[4-(aminomethyl)piperidin-1-yl]pent-2-en-2-ol?
The IUPAC name of (Z)-1-[4-(aminomethyl)piperidin-1-yl]pent-2-en-2-ol (CID 142118024) is (Z)-1-[4-(aminomethyl)piperidin-1-yl]pent-2-en-2-ol.
What is the SMILES notation for (Z)-1-[4-(aminomethyl)piperidin-1-yl]pent-2-en-2-ol?
The canonical SMILES for (Z)-1-[4-(aminomethyl)piperidin-1-yl]pent-2-en-2-ol is CC/C=C(\O)CN1CCC(CN)CC1.
What is the InChIKey of (Z)-1-[4-(aminomethyl)piperidin-1-yl]pent-2-en-2-ol?
The InChIKey is HJNYRVYPXUNPLQ-JYOAFUTRSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-3-11(14)9-13-6-4-10(8-12)5-7-13/h3,10,14H,2,4-9,12H2,1H3/b11-3-.
What are the key properties of (Z)-1-[4-(aminomethyl)piperidin-1-yl]pent-2-en-2-ol?
(Z)-1-[4-(aminomethyl)piperidin-1-yl]pent-2-en-2-ol has a molecular weight of 198.31 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[4-(aminomethyl)piperidin-1-yl]pent-2-en-2-ol is sourced from PubChem (CID 142118024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).