1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3-fluoropiperidin-4-yl)piperazine

C19H37FN4 — CID 177072804

IUPAC1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3-fluoropiperidin-4-yl)piperazine
SMILESCC(C)(C)N1CCC(CN2CCN(C3CCNCC3F)CC2)CC1
InChIInChI=1S/C19H37FN4/c1-19(2,3)24-8-5-16(6-9-24)15-22-10-12-23(13-11-22)18-4-7-21-14-17(18)20/h16-18,21H,4-15H2,1-3H3
InChIKeyMSFKTRUXGWNJER-UHFFFAOYSA-N
MW340.53 g/mol
LogP1.81
Rot. Bonds3

About 1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3-fluoropiperidin-4-yl)piperazine

1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3-fluoropiperidin-4-yl)piperazine (PubChem CID 177072804) has the molecular formula C19H37FN4 and a molecular weight of 340.53 g/mol. Its IUPAC name is 1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3-fluoropiperidin-4-yl)piperazine.

Molecular Properties

Compound Name1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3-fluoropiperidin-4-yl)piperazine
PubChem CID177072804
Molecular FormulaC19H37FN4
Molecular Weight340.53 g/mol
Exact Mass340.30
IUPAC Name1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3-fluoropiperidin-4-yl)piperazine
SMILESCC(C)(C)N1CCC(CN2CCN(C3CCNCC3F)CC2)CC1
InChIInChI=1S/C19H37FN4/c1-19(2,3)24-8-5-16(6-9-24)15-22-10-12-23(13-11-22)18-4-7-21-14-17(18)20/h16-18,21H,4-15H2,1-3H3
InChIKeyMSFKTRUXGWNJER-UHFFFAOYSA-N
XLogP1.81
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.53
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3-fluoropiperidin-4-yl)piperazine?
The IUPAC name of 1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3-fluoropiperidin-4-yl)piperazine (CID 177072804) is 1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3-fluoropiperidin-4-yl)piperazine.
What is the SMILES notation for 1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3-fluoropiperidin-4-yl)piperazine?
The canonical SMILES for 1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3-fluoropiperidin-4-yl)piperazine is CC(C)(C)N1CCC(CN2CCN(C3CCNCC3F)CC2)CC1.
What is the InChIKey of 1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3-fluoropiperidin-4-yl)piperazine?
The InChIKey is MSFKTRUXGWNJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37FN4/c1-19(2,3)24-8-5-16(6-9-24)15-22-10-12-23(13-11-22)18-4-7-21-14-17(18)20/h16-18,21H,4-15H2,1-3H3.
What are the key properties of 1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3-fluoropiperidin-4-yl)piperazine?
1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3-fluoropiperidin-4-yl)piperazine has a molecular weight of 340.53 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3-fluoropiperidin-4-yl)piperazine is sourced from PubChem (CID 177072804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).