(3R)-3-[(4-tert-butylpiperidin-1-yl)methyl]-1-propan-2-ylpiperidine

C18H36N2 — CID 156551481

IUPAC(3R)-3-[(4-tert-butylpiperidin-1-yl)methyl]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC[C@H](CN2CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C18H36N2/c1-15(2)20-10-6-7-16(14-20)13-19-11-8-17(9-12-19)18(3,4)5/h15-17H,6-14H2,1-5H3/t16-/m1/s1
InChIKeyHSMCDPGFQYGRHA-MRXNPFEDSA-N
MW280.50 g/mol
LogP3.86
Rot. Bonds3

About (3R)-3-[(4-tert-butylpiperidin-1-yl)methyl]-1-propan-2-ylpiperidine

(3R)-3-[(4-tert-butylpiperidin-1-yl)methyl]-1-propan-2-ylpiperidine (PubChem CID 156551481) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is (3R)-3-[(4-tert-butylpiperidin-1-yl)methyl]-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name(3R)-3-[(4-tert-butylpiperidin-1-yl)methyl]-1-propan-2-ylpiperidine
PubChem CID156551481
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name(3R)-3-[(4-tert-butylpiperidin-1-yl)methyl]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC[C@H](CN2CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C18H36N2/c1-15(2)20-10-6-7-16(14-20)13-19-11-8-17(9-12-19)18(3,4)5/h15-17H,6-14H2,1-5H3/t16-/m1/s1
InChIKeyHSMCDPGFQYGRHA-MRXNPFEDSA-N
XLogP3.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazine
CID 156551482
(3S)-3-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine
CID 164786402
2-[(4-tert-butylpiperidin-1-yl)methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 176760588
1-tert-butyl-4-[[1-[2,5-dimethyl-5-[4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazin-1-yl]hexan-2-yl]piperidin-4-yl]methyl]piperazine
CID 170018752
4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine
CID 156551026
[(3R)-1-propan-2-ylpiperidin-3-yl]methanol
CID 26722498
2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propanoic acid
CID 119135088
1-methyl-4-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine
CID 170617047
1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine
CID 170266000
1-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]ethanamine
CID 104575640
8-[(4-tert-butylpiperidin-1-yl)methyl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 176841713
(3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167395488

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-tert-butylpiperidin-1-yl)methyl]-1-propan-2-ylpiperidine?
The IUPAC name of (3R)-3-[(4-tert-butylpiperidin-1-yl)methyl]-1-propan-2-ylpiperidine (CID 156551481) is (3R)-3-[(4-tert-butylpiperidin-1-yl)methyl]-1-propan-2-ylpiperidine.
What is the SMILES notation for (3R)-3-[(4-tert-butylpiperidin-1-yl)methyl]-1-propan-2-ylpiperidine?
The canonical SMILES for (3R)-3-[(4-tert-butylpiperidin-1-yl)methyl]-1-propan-2-ylpiperidine is CC(C)N1CCC[C@H](CN2CCC(C(C)(C)C)CC2)C1.
What is the InChIKey of (3R)-3-[(4-tert-butylpiperidin-1-yl)methyl]-1-propan-2-ylpiperidine?
The InChIKey is HSMCDPGFQYGRHA-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H36N2/c1-15(2)20-10-6-7-16(14-20)13-19-11-8-17(9-12-19)18(3,4)5/h15-17H,6-14H2,1-5H3/t16-/m1/s1.
What are the key properties of (3R)-3-[(4-tert-butylpiperidin-1-yl)methyl]-1-propan-2-ylpiperidine?
(3R)-3-[(4-tert-butylpiperidin-1-yl)methyl]-1-propan-2-ylpiperidine has a molecular weight of 280.50 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-tert-butylpiperidin-1-yl)methyl]-1-propan-2-ylpiperidine is sourced from PubChem (CID 156551481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).