1-tert-butyl-4-[1-[(1-tert-butylazetidin-3-yl)methyl]azetidin-3-yl]piperazine

C19H38N4 — CID 172511600

IUPAC1-tert-butyl-4-[1-[(1-tert-butylazetidin-3-yl)methyl]azetidin-3-yl]piperazine
SMILESCC(C)(C)N1CCN(C2CN(CC3CN(C(C)(C)C)C3)C2)CC1
InChIInChI=1S/C19H38N4/c1-18(2,3)22-9-7-21(8-10-22)17-14-20(15-17)11-16-12-23(13-16)19(4,5)6/h16-17H,7-15H2,1-6H3
InChIKeyGRSAKRQEGACWPE-UHFFFAOYSA-N
MW322.54 g/mol
LogP1.82
Rot. Bonds3

About 1-tert-butyl-4-[1-[(1-tert-butylazetidin-3-yl)methyl]azetidin-3-yl]piperazine

1-tert-butyl-4-[1-[(1-tert-butylazetidin-3-yl)methyl]azetidin-3-yl]piperazine (PubChem CID 172511600) has the molecular formula C19H38N4 and a molecular weight of 322.54 g/mol. Its IUPAC name is 1-tert-butyl-4-[1-[(1-tert-butylazetidin-3-yl)methyl]azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[1-[(1-tert-butylazetidin-3-yl)methyl]azetidin-3-yl]piperazine
PubChem CID172511600
Molecular FormulaC19H38N4
Molecular Weight322.54 g/mol
Exact Mass322.31
IUPAC Name1-tert-butyl-4-[1-[(1-tert-butylazetidin-3-yl)methyl]azetidin-3-yl]piperazine
SMILESCC(C)(C)N1CCN(C2CN(CC3CN(C(C)(C)C)C3)C2)CC1
InChIInChI=1S/C19H38N4/c1-18(2,3)22-9-7-21(8-10-22)17-14-20(15-17)11-16-12-23(13-16)19(4,5)6/h16-17H,7-15H2,1-6H3
InChIKeyGRSAKRQEGACWPE-UHFFFAOYSA-N
XLogP1.82
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.54
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-4-[1-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine
CID 172511550
1-tert-butyl-4-[1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidin-4-yl]piperazine
CID 168727139
1-(1-tert-butylazetidin-3-yl)-4-[4-[4-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperazin-1-yl]-2,4-dimethylpentan-2-yl]piperazine
CID 138657278
1-tert-butyl-4-(cyclohexylmethyl)piperazine
CID 157130217
1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine
CID 156550929
1-tert-butyl-4-[1-[5-[4-(1-tert-butylazetidin-3-yl)piperazin-1-yl]-2,2-dimethylhexyl]azetidin-3-yl]piperazine
CID 135279303
1-methyl-4-[1-[(1-methylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine
CID 169319806
(2S,6R)-1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine
CID 146549044
2-[3-[[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]methyl]azetidin-1-yl]-5-methylpyrimidine
CID 171429381
2-tert-butyl-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a]azepine
CID 122520116
4-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 61430663
3-(4-tert-butylpiperazin-1-yl)cyclopentan-1-amine
CID 79467792

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[1-[(1-tert-butylazetidin-3-yl)methyl]azetidin-3-yl]piperazine?
The IUPAC name of 1-tert-butyl-4-[1-[(1-tert-butylazetidin-3-yl)methyl]azetidin-3-yl]piperazine (CID 172511600) is 1-tert-butyl-4-[1-[(1-tert-butylazetidin-3-yl)methyl]azetidin-3-yl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[1-[(1-tert-butylazetidin-3-yl)methyl]azetidin-3-yl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[1-[(1-tert-butylazetidin-3-yl)methyl]azetidin-3-yl]piperazine is CC(C)(C)N1CCN(C2CN(CC3CN(C(C)(C)C)C3)C2)CC1.
What is the InChIKey of 1-tert-butyl-4-[1-[(1-tert-butylazetidin-3-yl)methyl]azetidin-3-yl]piperazine?
The InChIKey is GRSAKRQEGACWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4/c1-18(2,3)22-9-7-21(8-10-22)17-14-20(15-17)11-16-12-23(13-16)19(4,5)6/h16-17H,7-15H2,1-6H3.
What are the key properties of 1-tert-butyl-4-[1-[(1-tert-butylazetidin-3-yl)methyl]azetidin-3-yl]piperazine?
1-tert-butyl-4-[1-[(1-tert-butylazetidin-3-yl)methyl]azetidin-3-yl]piperazine has a molecular weight of 322.54 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[1-[(1-tert-butylazetidin-3-yl)methyl]azetidin-3-yl]piperazine is sourced from PubChem (CID 172511600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).