4-tert-butyl-1-[[1-(propan-2-ylsulfanylmethyl)piperidin-4-yl]methyl]piperidine

C19H38N2S — CID 156551459

IUPAC4-tert-butyl-1-[[1-(propan-2-ylsulfanylmethyl)piperidin-4-yl]methyl]piperidine
SMILESCC(C)SCN1CCC(CN2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C19H38N2S/c1-16(2)22-15-21-10-6-17(7-11-21)14-20-12-8-18(9-13-20)19(3,4)5/h16-18H,6-15H2,1-5H3
InChIKeyDSJWKPZYRCUTBK-UHFFFAOYSA-N
MW326.59 g/mol
LogP4.56
Rot. Bonds5

About 4-tert-butyl-1-[[1-(propan-2-ylsulfanylmethyl)piperidin-4-yl]methyl]piperidine

4-tert-butyl-1-[[1-(propan-2-ylsulfanylmethyl)piperidin-4-yl]methyl]piperidine (PubChem CID 156551459) has the molecular formula C19H38N2S and a molecular weight of 326.59 g/mol. Its IUPAC name is 4-tert-butyl-1-[[1-(propan-2-ylsulfanylmethyl)piperidin-4-yl]methyl]piperidine.

Molecular Properties

Compound Name4-tert-butyl-1-[[1-(propan-2-ylsulfanylmethyl)piperidin-4-yl]methyl]piperidine
PubChem CID156551459
Molecular FormulaC19H38N2S
Molecular Weight326.59 g/mol
Exact Mass326.28
IUPAC Name4-tert-butyl-1-[[1-(propan-2-ylsulfanylmethyl)piperidin-4-yl]methyl]piperidine
SMILESCC(C)SCN1CCC(CN2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C19H38N2S/c1-16(2)22-15-21-10-6-17(7-11-21)14-20-12-8-18(9-13-20)19(3,4)5/h16-18H,6-15H2,1-5H3
InChIKeyDSJWKPZYRCUTBK-UHFFFAOYSA-N
XLogP4.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.59
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-1-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]piperidine
CID 160513190
1-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]ethanamine
CID 104575640
4-tert-butyl-1-(oxan-4-ylmethyl)piperidine
CID 59743823
4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine
CID 156551026
[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]-dimethyl-sulfanyl-λ4-sulfane
CID 170402213
4-tert-butyl-1-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine
CID 176760528
(3R)-3-[(4-tert-butylpiperidin-1-yl)methyl]-1-propan-2-ylpiperidine
CID 156551481
4-[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]-N-methylcyclohexan-1-amine
CID 167091256
2-[(4-tert-butylpiperidin-1-yl)methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 176760588
3,3-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
CID 66453018
1-(4-tert-butylpiperidin-1-yl)pentan-2-amine
CID 62089164
4-tert-butyl-1-[[(3R)-piperidin-3-yl]methyl]piperidine;ethane
CID 166490138

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[[1-(propan-2-ylsulfanylmethyl)piperidin-4-yl]methyl]piperidine?
The IUPAC name of 4-tert-butyl-1-[[1-(propan-2-ylsulfanylmethyl)piperidin-4-yl]methyl]piperidine (CID 156551459) is 4-tert-butyl-1-[[1-(propan-2-ylsulfanylmethyl)piperidin-4-yl]methyl]piperidine.
What is the SMILES notation for 4-tert-butyl-1-[[1-(propan-2-ylsulfanylmethyl)piperidin-4-yl]methyl]piperidine?
The canonical SMILES for 4-tert-butyl-1-[[1-(propan-2-ylsulfanylmethyl)piperidin-4-yl]methyl]piperidine is CC(C)SCN1CCC(CN2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of 4-tert-butyl-1-[[1-(propan-2-ylsulfanylmethyl)piperidin-4-yl]methyl]piperidine?
The InChIKey is DSJWKPZYRCUTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2S/c1-16(2)22-15-21-10-6-17(7-11-21)14-20-12-8-18(9-13-20)19(3,4)5/h16-18H,6-15H2,1-5H3.
What are the key properties of 4-tert-butyl-1-[[1-(propan-2-ylsulfanylmethyl)piperidin-4-yl]methyl]piperidine?
4-tert-butyl-1-[[1-(propan-2-ylsulfanylmethyl)piperidin-4-yl]methyl]piperidine has a molecular weight of 326.59 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[[1-(propan-2-ylsulfanylmethyl)piperidin-4-yl]methyl]piperidine is sourced from PubChem (CID 156551459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).