4-tert-butyl-1-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]piperidine

C20H40N2 — CID 160513190

IUPAC4-tert-butyl-1-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]piperidine
SMILESCC(C)(C)CN1CCC(CN2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C20H40N2/c1-19(2,3)16-22-11-7-17(8-12-22)15-21-13-9-18(10-14-21)20(4,5)6/h17-18H,7-16H2,1-6H3
InChIKeyOKXNLWAXRYVAHA-UHFFFAOYSA-N
MW308.55 g/mol
LogP4.50
Rot. Bonds3

About 4-tert-butyl-1-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]piperidine

4-tert-butyl-1-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]piperidine (PubChem CID 160513190) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is 4-tert-butyl-1-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]piperidine.

Molecular Properties

Compound Name4-tert-butyl-1-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]piperidine
PubChem CID160513190
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Name4-tert-butyl-1-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]piperidine
SMILESCC(C)(C)CN1CCC(CN2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C20H40N2/c1-19(2,3)16-22-11-7-17(8-12-22)15-21-13-9-18(10-14-21)20(4,5)6/h17-18H,7-16H2,1-6H3
InChIKeyOKXNLWAXRYVAHA-UHFFFAOYSA-N
XLogP4.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.55
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-(propan-2-ylsulfanylmethyl)piperidin-4-yl]methyl]piperidine
CID 156551459
4-tert-butyl-1-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine
CID 176760528
4-[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]-N-methylcyclohexan-1-amine
CID 167091256
4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
CID 59416758
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)piperidine
CID 58877740
1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperidine
CID 159988708
2-cyclopropyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-2-amine
CID 55141867
3-tert-butyl-1-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methyl]azetidine
CID 169016284
1-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]ethanamine
CID 104575640

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]piperidine?
The IUPAC name of 4-tert-butyl-1-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]piperidine (CID 160513190) is 4-tert-butyl-1-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]piperidine.
What is the SMILES notation for 4-tert-butyl-1-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]piperidine?
The canonical SMILES for 4-tert-butyl-1-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]piperidine is CC(C)(C)CN1CCC(CN2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of 4-tert-butyl-1-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]piperidine?
The InChIKey is OKXNLWAXRYVAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2/c1-19(2,3)16-22-11-7-17(8-12-22)15-21-13-9-18(10-14-21)20(4,5)6/h17-18H,7-16H2,1-6H3.
What are the key properties of 4-tert-butyl-1-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]piperidine?
4-tert-butyl-1-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]piperidine has a molecular weight of 308.55 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]piperidine is sourced from PubChem (CID 160513190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).