4-tert-butyl-1-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine

C20H39N3 — CID 176760528

IUPAC4-tert-butyl-1-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine
SMILESCC(C)(C)C1CCN(CC2CCN(C3CCNCC3)CC2)CC1
InChIInChI=1S/C20H39N3/c1-20(2,3)18-8-12-22(13-9-18)16-17-6-14-23(15-7-17)19-4-10-21-11-5-19/h17-19,21H,4-16H2,1-3H3
InChIKeyCVBPQHMJAQBGMT-UHFFFAOYSA-N
MW321.55 g/mol
LogP3.21
Rot. Bonds3

About 4-tert-butyl-1-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine

4-tert-butyl-1-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine (PubChem CID 176760528) has the molecular formula C20H39N3 and a molecular weight of 321.55 g/mol. Its IUPAC name is 4-tert-butyl-1-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine.

Molecular Properties

Compound Name4-tert-butyl-1-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine
PubChem CID176760528
Molecular FormulaC20H39N3
Molecular Weight321.55 g/mol
Exact Mass321.31
IUPAC Name4-tert-butyl-1-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine
SMILESCC(C)(C)C1CCN(CC2CCN(C3CCNCC3)CC2)CC1
InChIInChI=1S/C20H39N3/c1-20(2,3)18-8-12-22(13-9-18)16-17-6-14-23(15-7-17)19-4-10-21-11-5-19/h17-19,21H,4-16H2,1-3H3
InChIKeyCVBPQHMJAQBGMT-UHFFFAOYSA-N
XLogP3.21
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.55
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]-N-methylcyclohexan-1-amine
CID 167091256
1-(azetidin-3-yl)-4-[(4-tert-butylcyclohexyl)methyl]piperazine
CID 104575667
4-tert-butyl-1-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]piperidine
CID 160513190
4-piperidin-1-yl-1-(piperidin-4-ylmethyl)piperidine
CID 61244264
4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine
CID 164838588
1-piperidin-4-yl-4-propylpiperidine
CID 62199816
4-tert-butyl-1-[[(3R)-piperidin-3-yl]methyl]piperidine;ethane
CID 166490138
tert-butyl 2-[4-[(4-piperazin-1-ylpiperidin-1-yl)methyl]piperidin-1-yl]acetate
CID 163378049
4-tert-butyl-1-(oxan-4-ylmethyl)piperidine
CID 59743823
1-(1-methylpiperidin-4-yl)-4-(piperidin-4-ylmethyl)piperazine
CID 167265149
1-tert-butyl-4-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine
CID 177072543
4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine
CID 156551026

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine?
The IUPAC name of 4-tert-butyl-1-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine (CID 176760528) is 4-tert-butyl-1-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine.
What is the SMILES notation for 4-tert-butyl-1-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine?
The canonical SMILES for 4-tert-butyl-1-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine is CC(C)(C)C1CCN(CC2CCN(C3CCNCC3)CC2)CC1.
What is the InChIKey of 4-tert-butyl-1-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine?
The InChIKey is CVBPQHMJAQBGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3/c1-20(2,3)18-8-12-22(13-9-18)16-17-6-14-23(15-7-17)19-4-10-21-11-5-19/h17-19,21H,4-16H2,1-3H3.
What are the key properties of 4-tert-butyl-1-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine?
4-tert-butyl-1-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine has a molecular weight of 321.55 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine is sourced from PubChem (CID 176760528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).