1-tert-butyl-4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazine

C17H35N3 — CID 156551482

IUPAC1-tert-butyl-4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazine
SMILESCC(C)N1CCC[C@H](CN2CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C17H35N3/c1-15(2)19-8-6-7-16(14-19)13-18-9-11-20(12-10-18)17(3,4)5/h15-16H,6-14H2,1-5H3/t16-/m1/s1
InChIKeyJPCCYVIJMZNRNK-MRXNPFEDSA-N
MW281.49 g/mol
LogP2.52
Rot. Bonds3

About 1-tert-butyl-4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazine

1-tert-butyl-4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazine (PubChem CID 156551482) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 1-tert-butyl-4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazine
PubChem CID156551482
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name1-tert-butyl-4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazine
SMILESCC(C)N1CCC[C@H](CN2CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C17H35N3/c1-15(2)19-8-6-7-16(14-19)13-18-9-11-20(12-10-18)17(3,4)5/h15-16H,6-14H2,1-5H3/t16-/m1/s1
InChIKeyJPCCYVIJMZNRNK-MRXNPFEDSA-N
XLogP2.52
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine
CID 156550929
(3R)-3-[(4-tert-butylpiperidin-1-yl)methyl]-1-propan-2-ylpiperidine
CID 156551481
1-[(1-tert-butylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
CID 139475378
1-tert-butyl-4-(cyclohexylmethyl)piperazine
CID 157130217
(3S)-3-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine
CID 164786402
1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine
CID 170266000
1-methyl-4-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine
CID 170617047
4-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 61430663
1-tert-butyl-4-[1-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine
CID 172511550
[(3R)-1-propan-2-ylpiperidin-3-yl]methanol
CID 26722498
1-tert-butyl-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]piperazine
CID 139475119

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazine?
The IUPAC name of 1-tert-butyl-4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazine (CID 156551482) is 1-tert-butyl-4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazine is CC(C)N1CCC[C@H](CN2CCN(C(C)(C)C)CC2)C1.
What is the InChIKey of 1-tert-butyl-4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazine?
The InChIKey is JPCCYVIJMZNRNK-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H35N3/c1-15(2)19-8-6-7-16(14-19)13-18-9-11-20(12-10-18)17(3,4)5/h15-16H,6-14H2,1-5H3/t16-/m1/s1.
What are the key properties of 1-tert-butyl-4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazine?
1-tert-butyl-4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazine has a molecular weight of 281.49 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazine is sourced from PubChem (CID 156551482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).