[6-(piperidin-1-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanethione

C19H30N4S — CID 11609917

IUPAC[6-(piperidin-1-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanethione
SMILESCC(C)N1CCN(C(=S)c2ccc(CN3CCCCC3)nc2)CC1
InChIInChI=1S/C19H30N4S/c1-16(2)22-10-12-23(13-11-22)19(24)17-6-7-18(20-14-17)15-21-8-4-3-5-9-21/h6-7,14,16H,3-5,8-13,15H2,1-2H3
InChIKeyCYKIJOQYHLZFST-UHFFFAOYSA-N
MW346.54 g/mol
LogP2.77
Rot. Bonds4

About [6-(piperidin-1-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanethione

[6-(piperidin-1-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanethione (PubChem CID 11609917) has the molecular formula C19H30N4S and a molecular weight of 346.54 g/mol. Its IUPAC name is [6-(piperidin-1-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanethione.

Molecular Properties

Compound Name[6-(piperidin-1-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanethione
PubChem CID11609917
Molecular FormulaC19H30N4S
Molecular Weight346.54 g/mol
Exact Mass346.22
IUPAC Name[6-(piperidin-1-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanethione
SMILESCC(C)N1CCN(C(=S)c2ccc(CN3CCCCC3)nc2)CC1
InChIInChI=1S/C19H30N4S/c1-16(2)22-10-12-23(13-11-22)19(24)17-6-7-18(20-14-17)15-21-8-4-3-5-9-21/h6-7,14,16H,3-5,8-13,15H2,1-2H3
InChIKeyCYKIJOQYHLZFST-UHFFFAOYSA-N
XLogP2.77
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [6-(piperidin-1-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanethione with MolForge

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Related Compounds

2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine
CID 58154560
1-propan-2-yl-4-[[5-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2-pyridinyl]methyl]piperazine
CID 59543440
6-(azocan-1-ylmethyl)pyridin-3-ol
CID 82977011
5-ethyl-2-(piperidin-1-ylmethyl)pyridine
CID 58495459
5-ethyl-2-(pyrrolidin-1-ylmethyl)pyridine
CID 89095451
4-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrimidine
CID 135299357
2-(azetidin-1-ylmethyl)-5-bromopyridine
CID 105484340
6-[[3-(methylcarbamoyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 103196622
(2R)-1-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]-2-methylbutan-1-one
CID 95338125
[3-(piperidin-1-ylmethyl)-1-benzothiophen-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 25060389
3-chloro-6-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridazine
CID 59543422
1-[(1-propan-2-ylimidazol-4-yl)methyl]piperidine
CID 117191786

Frequently Asked Questions

What is the IUPAC name of [6-(piperidin-1-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanethione?
The IUPAC name of [6-(piperidin-1-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanethione (CID 11609917) is [6-(piperidin-1-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanethione.
What is the SMILES notation for [6-(piperidin-1-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanethione?
The canonical SMILES for [6-(piperidin-1-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanethione is CC(C)N1CCN(C(=S)c2ccc(CN3CCCCC3)nc2)CC1.
What is the InChIKey of [6-(piperidin-1-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanethione?
The InChIKey is CYKIJOQYHLZFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4S/c1-16(2)22-10-12-23(13-11-22)19(24)17-6-7-18(20-14-17)15-21-8-4-3-5-9-21/h6-7,14,16H,3-5,8-13,15H2,1-2H3.
What are the key properties of [6-(piperidin-1-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanethione?
[6-(piperidin-1-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanethione has a molecular weight of 346.54 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(piperidin-1-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanethione is sourced from PubChem (CID 11609917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).