(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-en-1-amine;hydrochloride

C15H24ClN3O — CID 121230636

IUPAC(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-en-1-amine;hydrochloride
SMILESCl.NC/C=C\COc1cc(CN2CCCCC2)ccn1
InChIInChI=1S/C15H23N3O.ClH/c16-7-2-5-11-19-15-12-14(6-8-17-15)13-18-9-3-1-4-10-18;/h2,5-6,8,12H,1,3-4,7,9-11,13,16H2;1H/b5-2-;
InChIKeyNQIZIEQZWYAWDL-PVOKDAACSA-N
MW297.83 g/mol
LogP2.38
Rot. Bonds6

About (Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-en-1-amine;hydrochloride

(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-en-1-amine;hydrochloride (PubChem CID 121230636) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is (Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-en-1-amine;hydrochloride
PubChem CID121230636
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-en-1-amine;hydrochloride
SMILESCl.NC/C=C\COc1cc(CN2CCCCC2)ccn1
InChIInChI=1S/C15H23N3O.ClH/c16-7-2-5-11-19-15-12-14(6-8-17-15)13-18-9-3-1-4-10-18;/h2,5-6,8,12H,1,3-4,7,9-11,13,16H2;1H/b5-2-;
InChIKeyNQIZIEQZWYAWDL-PVOKDAACSA-N
XLogP2.38
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N'-[4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]propanediamide
CID 67845640
3-amino-4-[[(E)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]amino]cyclobutane-1,2-dione;hydrochloride
CID 166639328
3-amino-4-[[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]amino]cyclobutane-1,2-dione;hydrochloride
CID 171360878
3-[[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]amino]cyclobut-3-ene-1,2-dione
CID 139775806
3-oxo-3-[[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]amino]propanoic acid
CID 139915599
N'-[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]pentanediamide
CID 139915589
2-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]-4-(piperidin-1-ylmethyl)pyridine
CID 15228209
1-cyclopentyl-3-[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]urea
CID 67725976
4-(piperidin-1-ylmethyl)-2-propoxypyridine
CID 54041616
N-[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]-N'-propan-2-ylpropanediamide
CID 139915609
2-(3-hydroxypropylsulfanyl)-N-[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]acetamide
CID 67726286
S-[3-oxo-3-[4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enylamino]propyl] ethanethioate
CID 57317403

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-en-1-amine;hydrochloride?
The IUPAC name of (Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-en-1-amine;hydrochloride (CID 121230636) is (Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-en-1-amine;hydrochloride.
What is the SMILES notation for (Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-en-1-amine;hydrochloride?
The canonical SMILES for (Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-en-1-amine;hydrochloride is Cl.NC/C=C\COc1cc(CN2CCCCC2)ccn1.
What is the InChIKey of (Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-en-1-amine;hydrochloride?
The InChIKey is NQIZIEQZWYAWDL-PVOKDAACSA-N. The full InChI is InChI=1S/C15H23N3O.ClH/c16-7-2-5-11-19-15-12-14(6-8-17-15)13-18-9-3-1-4-10-18;/h2,5-6,8,12H,1,3-4,7,9-11,13,16H2;1H/b5-2-;.
What are the key properties of (Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-en-1-amine;hydrochloride?
(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-en-1-amine;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-en-1-amine;hydrochloride is sourced from PubChem (CID 121230636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).