N-butan-2-yl-3-fluoro-1-methylpiperidin-4-amine;N-ethyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen

C20H47FN4 — CID 178010855

IUPACN-butan-2-yl-3-fluoro-1-methylpiperidin-4-amine;N-ethyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen
SMILESCCC(C)NC1CCN(C)CC1F.CCNC1CCN(C(C)C)CC1.[H][H].[H][H]
InChIInChI=1S/C10H21FN2.C10H22N2.2H2/c1-4-8(2)12-10-5-6-13(3)7-9(10)11;1-4-11-10-5-7-12(8-6-10)9(2)3;;/h8-10,12H,4-7H2,1-3H3;9-11H,4-8H2,1-3H3;2*1H
InChIKeyFDKRIIJLUMJGLT-UHFFFAOYSA-N
MW362.62 g/mol
LogP3.38
Rot. Bonds6

About N-butan-2-yl-3-fluoro-1-methylpiperidin-4-amine;N-ethyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen

N-butan-2-yl-3-fluoro-1-methylpiperidin-4-amine;N-ethyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen (PubChem CID 178010855) has the molecular formula C20H47FN4 and a molecular weight of 362.62 g/mol. Its IUPAC name is N-butan-2-yl-3-fluoro-1-methylpiperidin-4-amine;N-ethyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen.

Molecular Properties

Compound NameN-butan-2-yl-3-fluoro-1-methylpiperidin-4-amine;N-ethyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen
PubChem CID178010855
Molecular FormulaC20H47FN4
Molecular Weight362.62 g/mol
Exact Mass362.38
IUPAC NameN-butan-2-yl-3-fluoro-1-methylpiperidin-4-amine;N-ethyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen
SMILESCCC(C)NC1CCN(C)CC1F.CCNC1CCN(C(C)C)CC1.[H][H].[H][H]
InChIInChI=1S/C10H21FN2.C10H22N2.2H2/c1-4-8(2)12-10-5-6-13(3)7-9(10)11;1-4-11-10-5-7-12(8-6-10)9(2)3;;/h8-10,12H,4-7H2,1-3H3;9-11H,4-8H2,1-3H3;2*1H
InChIKeyFDKRIIJLUMJGLT-UHFFFAOYSA-N
XLogP3.38
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.62
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-butan-2-yl-3-fluoro-1-methylpiperidin-4-amine;N-ethyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen with MolForge

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Launch Full Analysis

Related Compounds

N-ethyl-1-propan-2-ylpiperidin-4-amine
CID 24692919
(3S,4R)-3-fluoro-1-methyl-N-propan-2-ylpiperidin-4-amine
CID 171638746
N-[(1-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylazepan-4-amine
CID 65073948
1-butan-2-yl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-amine
CID 71179367
ethane;N-ethyl-1-methylpyrrolidin-3-amine
CID 145338055
1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 62976183
N-[(4-methylmorpholin-2-yl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 79083312
N-(3-methylhexyl)-1-propan-2-ylpiperidin-4-amine
CID 139366254
trans-(1R,2R)-N-butan-2-yl-2-fluorocyclohexan-1-amine
CID 126847801
(3S,4R)-3-fluoro-N,1-dimethylpiperidin-4-amine
CID 55287556
N-ethyl-4-fluoro-1-methylpyrrolidin-3-amine
CID 167270412
N-ethyl-1-(3-ethylpentan-2-yl)pyrrolidin-3-amine
CID 63838673

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-fluoro-1-methylpiperidin-4-amine;N-ethyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen?
The IUPAC name of N-butan-2-yl-3-fluoro-1-methylpiperidin-4-amine;N-ethyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen (CID 178010855) is N-butan-2-yl-3-fluoro-1-methylpiperidin-4-amine;N-ethyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen.
What is the SMILES notation for N-butan-2-yl-3-fluoro-1-methylpiperidin-4-amine;N-ethyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen?
The canonical SMILES for N-butan-2-yl-3-fluoro-1-methylpiperidin-4-amine;N-ethyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen is CCC(C)NC1CCN(C)CC1F.CCNC1CCN(C(C)C)CC1.[H][H].[H][H].
What is the InChIKey of N-butan-2-yl-3-fluoro-1-methylpiperidin-4-amine;N-ethyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen?
The InChIKey is FDKRIIJLUMJGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2.C10H22N2.2H2/c1-4-8(2)12-10-5-6-13(3)7-9(10)11;1-4-11-10-5-7-12(8-6-10)9(2)3;;/h8-10,12H,4-7H2,1-3H3;9-11H,4-8H2,1-3H3;2*1H.
What are the key properties of N-butan-2-yl-3-fluoro-1-methylpiperidin-4-amine;N-ethyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen?
N-butan-2-yl-3-fluoro-1-methylpiperidin-4-amine;N-ethyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen has a molecular weight of 362.62 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-fluoro-1-methylpiperidin-4-amine;N-ethyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen is sourced from PubChem (CID 178010855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).