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

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

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Related Compounds

3-Fluoro-1-methyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine
CID 167091038
4-Fluoro-1-methyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine
CID 167091473
1-Tert-butyl-3-fluoro-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine
CID 172511305
1-(1-Tert-butylpiperidin-4-yl)-4-[(4-tert-butylpiperidin-1-yl)methyl]-4-fluoropiperidine
CID 172511522
1-Tert-butyl-4-[[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]methyl]-4-fluoropiperidine
CID 172511568
1-Tert-butyl-4-fluoro-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine
CID 172511611
3,3-Difluoro-1-(2-methylpropyl)piperidine;3-propan-2-yl-3,9-diazaspiro[5.5]undecane
CID 176558300
2,5-Bis(piperidinomethyl)piperidine
CID 13158784
Bis(piperidinomethyl)piperidine
CID 129707014
Lithium;butane;3,7-di(propan-2-yl)-3,7-diazoniabicyclo[3.3.1]nonane
CID 176423080
4-N-(1-azabicyclo[2.2.2]octan-2-ylmethyl)-1-N,1-N-diethylpentane-1,4-diamine
CID 113780
1-(1-azabicyclo[2.2.2]octan-3-yl)-N-methylmethanamine;dihydrochloride
CID 177800694

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).