1-[[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine

C14H28FN3 — CID 165137582

IUPAC1-[[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine
SMILESCC(C)CN1CCC(CN2CCNCC2)C(F)C1
InChIInChI=1S/C14H28FN3/c1-12(2)9-18-6-3-13(14(15)11-18)10-17-7-4-16-5-8-17/h12-14,16H,3-11H2,1-2H3
InChIKeyURYVIUYDVNTSQE-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.21
Rot. Bonds4

About 1-[[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine

1-[[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine (PubChem CID 165137582) has the molecular formula C14H28FN3 and a molecular weight of 257.40 g/mol. Its IUPAC name is 1-[[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine
PubChem CID165137582
Molecular FormulaC14H28FN3
Molecular Weight257.40 g/mol
Exact Mass257.23
IUPAC Name1-[[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine
SMILESCC(C)CN1CCC(CN2CCNCC2)C(F)C1
InChIInChI=1S/C14H28FN3/c1-12(2)9-18-6-3-13(14(15)11-18)10-17-7-4-16-5-8-17/h12-14,16H,3-11H2,1-2H3
InChIKeyURYVIUYDVNTSQE-UHFFFAOYSA-N
XLogP1.21
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-ol
CID 176977042
methane;1-(2-methylpropyl)piperazine
CID 167537973
(3S,4R)-3-fluoro-1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 170629430
4-(hydroxymethyl)-1-(2-methylpropyl)piperidin-3-ol
CID 130703735
(3S)-3-fluoro-1-(2-methylpropyl)piperidine
CID 130368506
3-chloro-1-(2-methylpropyl)pyrrolidine
CID 19819767
1-(2-methylpropyl)piperazine;2,2,2-trifluoroacetic acid
CID 118367131
1-[[(2R,3R)-2-cyclopentylpyrrolidin-3-yl]methyl]piperazine
CID 82388905
1-(2-cycloheptylpropyl)piperazine
CID 82509737
4-(3-methylbutyl)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 119932466
1-(cyclopropylmethyl)-4-(2-methylpropyl)piperazine
CID 59603480
3-tert-butyl-1-(2-methylpropyl)piperazine
CID 64833220

Frequently Asked Questions

What is the IUPAC name of 1-[[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine?
The IUPAC name of 1-[[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine (CID 165137582) is 1-[[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine.
What is the SMILES notation for 1-[[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine?
The canonical SMILES for 1-[[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine is CC(C)CN1CCC(CN2CCNCC2)C(F)C1.
What is the InChIKey of 1-[[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine?
The InChIKey is URYVIUYDVNTSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28FN3/c1-12(2)9-18-6-3-13(14(15)11-18)10-17-7-4-16-5-8-17/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 1-[[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine?
1-[[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine has a molecular weight of 257.40 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine is sourced from PubChem (CID 165137582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).