(3R)-N-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperidin-3-amine

C20H39FN2 — CID 176842019

IUPAC(3R)-N-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperidin-3-amine
SMILESCC(C)(C)N[C@@H]1CCCN(CC2CCC(C(C)(C)C)C(F)C2)C1
InChIInChI=1S/C20H39FN2/c1-19(2,3)17-10-9-15(12-18(17)21)13-23-11-7-8-16(14-23)22-20(4,5)6/h15-18,22H,7-14H2,1-6H3/t15?,16-,17?,18?/m1/s1
InChIKeyFIRFDTCBELTKTP-JYJOREJMSA-N
MW326.54 g/mol
LogP4.64
Rot. Bonds3

About (3R)-N-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperidin-3-amine

(3R)-N-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperidin-3-amine (PubChem CID 176842019) has the molecular formula C20H39FN2 and a molecular weight of 326.54 g/mol. Its IUPAC name is (3R)-N-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperidin-3-amine
PubChem CID176842019
Molecular FormulaC20H39FN2
Molecular Weight326.54 g/mol
Exact Mass326.31
IUPAC Name(3R)-N-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperidin-3-amine
SMILESCC(C)(C)N[C@@H]1CCCN(CC2CCC(C(C)(C)C)C(F)C2)C1
InChIInChI=1S/C20H39FN2/c1-19(2,3)17-10-9-15(12-18(17)21)13-23-11-7-8-16(14-23)22-20(4,5)6/h15-18,22H,7-14H2,1-6H3/t15?,16-,17?,18?/m1/s1
InChIKeyFIRFDTCBELTKTP-JYJOREJMSA-N
XLogP4.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.54
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-N-[(4-tert-butylcyclohexyl)methyl]-1-N-[(2R)-1-(methylamino)propan-2-yl]hexane-1,2-diamine
CID 24792593
(4-tert-butylcyclohexyl)methyl-[(1S)-1-[[[(1R,2R)-2-methyl-1-(methylaminomethyl)butyl]amino]methyl]butyl]amine
CID 24792601
(2S,3S)-2-((R)-4-(3-cyclohexylpropyl)-3-isopropylpiperazin-1-yl)-N,3-dimethylpentan-1-amine
CID 45482257
1-cyclohexyl-N-(2-piperidin-1-ylethyl)pentan-2-amine
CID 172451235
2-cyclohexyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]cyclohexan-1-amine
CID 75428008
3-(4-fluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine
CID 67190119
(2S)-3-(4-fluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine
CID 91191509
2-Butyl-4-(12-fluoro-8-methylspiro[5.7]tridecan-9-yl)piperidin-3-amine
CID 123210683
2-N-[[2-(4-fluoro-3-methylcyclohexyl)-3-methylpiperidin-3-yl]methyl]butane-1,2-diamine
CID 123415488
3-(2,2-dimethylpropyl)-3-ethyl-1-N-(4-fluoro-3-methylcyclohexyl)-1-N-hexyl-2-N,5,5-trimethylhexane-1,2-diamine
CID 134286891
4-Cyclohexyl-2-(3-fluoropropyl)-3-propylpiperidine
CID 134298773
1-Tert-butyl-4-[[4-(2,2-dimethylpropyl)-1-fluorocyclohexyl]methyl]piperazine
CID 135273179

Frequently Asked Questions

What is the IUPAC name of (3R)-N-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperidin-3-amine?
The IUPAC name of (3R)-N-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperidin-3-amine (CID 176842019) is (3R)-N-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperidin-3-amine.
What is the SMILES notation for (3R)-N-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperidin-3-amine?
The canonical SMILES for (3R)-N-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperidin-3-amine is CC(C)(C)N[C@@H]1CCCN(CC2CCC(C(C)(C)C)C(F)C2)C1.
What is the InChIKey of (3R)-N-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperidin-3-amine?
The InChIKey is FIRFDTCBELTKTP-JYJOREJMSA-N. The full InChI is InChI=1S/C20H39FN2/c1-19(2,3)17-10-9-15(12-18(17)21)13-23-11-7-8-16(14-23)22-20(4,5)6/h15-18,22H,7-14H2,1-6H3/t15?,16-,17?,18?/m1/s1.
What are the key properties of (3R)-N-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperidin-3-amine?
(3R)-N-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperidin-3-amine has a molecular weight of 326.54 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperidin-3-amine is sourced from PubChem (CID 176842019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).