1-[3-[1-[3-(azetidin-3-yl)butyl]piperidin-4-yl]butyl]-4-propan-2-ylpiperazine

C23H46N4 — CID 139425550

IUPAC1-[3-[1-[3-(azetidin-3-yl)butyl]piperidin-4-yl]butyl]-4-propan-2-ylpiperazine
SMILESCC(CCN1CCN(C(C)C)CC1)C1CCN(CCC(C)C2CNC2)CC1
InChIInChI=1S/C23H46N4/c1-19(2)27-15-13-26(14-16-27)10-5-20(3)22-7-11-25(12-8-22)9-6-21(4)23-17-24-18-23/h19-24H,5-18H2,1-4H3
InChIKeyGUVXTLZGAIPODN-UHFFFAOYSA-N
MW378.65 g/mol
LogP3.00
Rot. Bonds9

About 1-[3-[1-[3-(azetidin-3-yl)butyl]piperidin-4-yl]butyl]-4-propan-2-ylpiperazine

1-[3-[1-[3-(azetidin-3-yl)butyl]piperidin-4-yl]butyl]-4-propan-2-ylpiperazine (PubChem CID 139425550) has the molecular formula C23H46N4 and a molecular weight of 378.65 g/mol. Its IUPAC name is 1-[3-[1-[3-(azetidin-3-yl)butyl]piperidin-4-yl]butyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[3-[1-[3-(azetidin-3-yl)butyl]piperidin-4-yl]butyl]-4-propan-2-ylpiperazine
PubChem CID139425550
Molecular FormulaC23H46N4
Molecular Weight378.65 g/mol
Exact Mass378.37
IUPAC Name1-[3-[1-[3-(azetidin-3-yl)butyl]piperidin-4-yl]butyl]-4-propan-2-ylpiperazine
SMILESCC(CCN1CCN(C(C)C)CC1)C1CCN(CCC(C)C2CNC2)CC1
InChIInChI=1S/C23H46N4/c1-19(2)27-15-13-26(14-16-27)10-5-20(3)22-7-11-25(12-8-22)9-6-21(4)23-17-24-18-23/h19-24H,5-18H2,1-4H3
InChIKeyGUVXTLZGAIPODN-UHFFFAOYSA-N
XLogP3.00
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.65
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperazine
CID 81044402
1-[2-(azetidin-3-yl)propyl]-4-propan-2-ylpiperazine
CID 116679449
1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperidine
CID 103497377
1-(3-piperidin-3-ylbutyl)-4-(trifluoromethyl)piperidine
CID 81045481
1-(2-piperidin-4-ylethyl)-4-propan-2-ylpiperazine
CID 43585327
1-[1-(3-methylpentyl)piperidin-4-yl]-4-propan-2-ylpiperazine
CID 177178708
1-[2-(azetidin-3-yl)propyl]-3,4-dimethylpiperidine
CID 116680465
4-butan-2-yl-1-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propyl]piperidine
CID 176983225
1-[(3R)-4-(4-methoxycyclohexyl)-3-methylbutyl]-4-propan-2-ylpiperazine
CID 175636192
1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333
3-(3-piperidin-3-ylbutyl)-3-azaspiro[5.5]undecane
CID 81047442
1-[(3R)-3-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]-4-propan-2-ylpiperazine
CID 170375311

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-[3-(azetidin-3-yl)butyl]piperidin-4-yl]butyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[3-[1-[3-(azetidin-3-yl)butyl]piperidin-4-yl]butyl]-4-propan-2-ylpiperazine (CID 139425550) is 1-[3-[1-[3-(azetidin-3-yl)butyl]piperidin-4-yl]butyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[3-[1-[3-(azetidin-3-yl)butyl]piperidin-4-yl]butyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[3-[1-[3-(azetidin-3-yl)butyl]piperidin-4-yl]butyl]-4-propan-2-ylpiperazine is CC(CCN1CCN(C(C)C)CC1)C1CCN(CCC(C)C2CNC2)CC1.
What is the InChIKey of 1-[3-[1-[3-(azetidin-3-yl)butyl]piperidin-4-yl]butyl]-4-propan-2-ylpiperazine?
The InChIKey is GUVXTLZGAIPODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N4/c1-19(2)27-15-13-26(14-16-27)10-5-20(3)22-7-11-25(12-8-22)9-6-21(4)23-17-24-18-23/h19-24H,5-18H2,1-4H3.
What are the key properties of 1-[3-[1-[3-(azetidin-3-yl)butyl]piperidin-4-yl]butyl]-4-propan-2-ylpiperazine?
1-[3-[1-[3-(azetidin-3-yl)butyl]piperidin-4-yl]butyl]-4-propan-2-ylpiperazine has a molecular weight of 378.65 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-[3-(azetidin-3-yl)butyl]piperidin-4-yl]butyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 139425550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).