(2S)-1-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]hex-5-en-2-ol

C17H27N3O — CID 97321079

IUPAC(2S)-1-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]hex-5-en-2-ol
SMILESC=CCC[C@H](O)CN1CCC(Nc2cccc(C)n2)CC1
InChIInChI=1S/C17H27N3O/c1-3-4-7-16(21)13-20-11-9-15(10-12-20)19-17-8-5-6-14(2)18-17/h3,5-6,8,15-16,21H,1,4,7,9-13H2,2H3,(H,18,19)/t16-/m0/s1
InChIKeyOISKBFAWVZFTCQ-INIZCTEOSA-N
MW289.42 g/mol
LogP2.59
Rot. Bonds7

About (2S)-1-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]hex-5-en-2-ol

(2S)-1-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]hex-5-en-2-ol (PubChem CID 97321079) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (2S)-1-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]hex-5-en-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]hex-5-en-2-ol
PubChem CID97321079
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(2S)-1-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]hex-5-en-2-ol
SMILESC=CCC[C@H](O)CN1CCC(Nc2cccc(C)n2)CC1
InChIInChI=1S/C17H27N3O/c1-3-4-7-16(21)13-20-11-9-15(10-12-20)19-17-8-5-6-14(2)18-17/h3,5-6,8,15-16,21H,1,4,7,9-13H2,2H3,(H,18,19)/t16-/m0/s1
InChIKeyOISKBFAWVZFTCQ-INIZCTEOSA-N
XLogP2.59
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]hex-5-en-2-ol?
The IUPAC name of (2S)-1-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]hex-5-en-2-ol (CID 97321079) is (2S)-1-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]hex-5-en-2-ol.
What is the SMILES notation for (2S)-1-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]hex-5-en-2-ol?
The canonical SMILES for (2S)-1-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]hex-5-en-2-ol is C=CCC[C@H](O)CN1CCC(Nc2cccc(C)n2)CC1.
What is the InChIKey of (2S)-1-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]hex-5-en-2-ol?
The InChIKey is OISKBFAWVZFTCQ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-4-7-16(21)13-20-11-9-15(10-12-20)19-17-8-5-6-14(2)18-17/h3,5-6,8,15-16,21H,1,4,7,9-13H2,2H3,(H,18,19)/t16-/m0/s1.
What are the key properties of (2S)-1-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]hex-5-en-2-ol?
(2S)-1-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]hex-5-en-2-ol has a molecular weight of 289.42 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]hex-5-en-2-ol is sourced from PubChem (CID 97321079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).