4-tert-butyl-1-[[(3R)-piperidin-3-yl]methyl]piperidine;ethane

C17H36N2 — CID 166490138

IUPAC4-tert-butyl-1-[[(3R)-piperidin-3-yl]methyl]piperidine;ethane
SMILESCC.CC(C)(C)C1CCN(C[C@@H]2CCCNC2)CC1
InChIInChI=1S/C15H30N2.C2H6/c1-15(2,3)14-6-9-17(10-7-14)12-13-5-4-8-16-11-13;1-2/h13-14,16H,4-12H2,1-3H3;1-2H3/t13-;/m1./s1
InChIKeyUCZQGMQJQSCRKL-BTQNPOSSSA-N
MW268.49 g/mol
LogP3.77
Rot. Bonds2

About 4-tert-butyl-1-[[(3R)-piperidin-3-yl]methyl]piperidine;ethane

4-tert-butyl-1-[[(3R)-piperidin-3-yl]methyl]piperidine;ethane (PubChem CID 166490138) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 4-tert-butyl-1-[[(3R)-piperidin-3-yl]methyl]piperidine;ethane.

Molecular Properties

Compound Name4-tert-butyl-1-[[(3R)-piperidin-3-yl]methyl]piperidine;ethane
PubChem CID166490138
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name4-tert-butyl-1-[[(3R)-piperidin-3-yl]methyl]piperidine;ethane
SMILESCC.CC(C)(C)C1CCN(C[C@@H]2CCCNC2)CC1
InChIInChI=1S/C15H30N2.C2H6/c1-15(2,3)14-6-9-17(10-7-14)12-13-5-4-8-16-11-13;1-2/h13-14,16H,4-12H2,1-3H3;1-2H3/t13-;/m1./s1
InChIKeyUCZQGMQJQSCRKL-BTQNPOSSSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-1-[[(3R)-piperidin-3-yl]methyl]piperidine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanol
CID 80554337
4-fluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine
CID 115028862
N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanamine;hydrochloride
CID 120847679
4-tert-butyl-1-(piperidin-3-ylmethylsulfonyl)piperidine
CID 62085436
5-[[(3S)-piperidin-3-yl]methyl]-1,2,5-dithiazepane
CID 130659365
4-(dimethoxymethyl)-1-(piperidin-3-ylmethyl)piperidine
CID 174255823
2-tert-butyl-4-(piperidin-3-ylmethyl)morpholine
CID 120858117
3,3-difluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine
CID 120849326
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine
CID 79187862
2-[4-[[(3S)-piperidin-3-yl]methyl]piperazin-1-yl]ethanol
CID 86323269
bis(tert-butyl 4-(piperidin-3-ylmethyl)piperazine-1-carboxylate);oxalic acid
CID 56773553
4-tert-butyl-1-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine
CID 176760528

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[[(3R)-piperidin-3-yl]methyl]piperidine;ethane?
The IUPAC name of 4-tert-butyl-1-[[(3R)-piperidin-3-yl]methyl]piperidine;ethane (CID 166490138) is 4-tert-butyl-1-[[(3R)-piperidin-3-yl]methyl]piperidine;ethane.
What is the SMILES notation for 4-tert-butyl-1-[[(3R)-piperidin-3-yl]methyl]piperidine;ethane?
The canonical SMILES for 4-tert-butyl-1-[[(3R)-piperidin-3-yl]methyl]piperidine;ethane is CC.CC(C)(C)C1CCN(C[C@@H]2CCCNC2)CC1.
What is the InChIKey of 4-tert-butyl-1-[[(3R)-piperidin-3-yl]methyl]piperidine;ethane?
The InChIKey is UCZQGMQJQSCRKL-BTQNPOSSSA-N. The full InChI is InChI=1S/C15H30N2.C2H6/c1-15(2,3)14-6-9-17(10-7-14)12-13-5-4-8-16-11-13;1-2/h13-14,16H,4-12H2,1-3H3;1-2H3/t13-;/m1./s1.
What are the key properties of 4-tert-butyl-1-[[(3R)-piperidin-3-yl]methyl]piperidine;ethane?
4-tert-butyl-1-[[(3R)-piperidin-3-yl]methyl]piperidine;ethane has a molecular weight of 268.49 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[[(3R)-piperidin-3-yl]methyl]piperidine;ethane is sourced from PubChem (CID 166490138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).