(3S)-1-(cyclopropylmethyl)-3-fluoro-3-methylpiperidine

C10H18FN — CID 134195634

IUPAC(3S)-1-(cyclopropylmethyl)-3-fluoro-3-methylpiperidine
SMILESC[C@]1(F)CCCN(CC2CC2)C1
InChIInChI=1S/C10H18FN/c1-10(11)5-2-6-12(8-10)7-9-3-4-9/h9H,2-8H2,1H3/t10-/m0/s1
InChIKeyLDQXJBNRBMUZOX-JTQLQIEISA-N
MW171.26 g/mol
LogP2.22
Rot. Bonds2

About (3S)-1-(cyclopropylmethyl)-3-fluoro-3-methylpiperidine

(3S)-1-(cyclopropylmethyl)-3-fluoro-3-methylpiperidine (PubChem CID 134195634) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is (3S)-1-(cyclopropylmethyl)-3-fluoro-3-methylpiperidine.

Molecular Properties

Compound Name(3S)-1-(cyclopropylmethyl)-3-fluoro-3-methylpiperidine
PubChem CID134195634
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name(3S)-1-(cyclopropylmethyl)-3-fluoro-3-methylpiperidine
SMILESC[C@]1(F)CCCN(CC2CC2)C1
InChIInChI=1S/C10H18FN/c1-10(11)5-2-6-12(8-10)7-9-3-4-9/h9H,2-8H2,1H3/t10-/m0/s1
InChIKeyLDQXJBNRBMUZOX-JTQLQIEISA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclopropylmethyl)-3-fluoro-3-propan-2-ylpiperidine
CID 134195447
[1-(cyclopropylmethyl)-3-fluoropiperidin-3-yl]methanol
CID 130666200
1-(1,4-dioxan-2-ylmethyl)-3-fluoro-3-methylpiperidine
CID 126793844
2-(3-fluoro-3-methylpiperidin-1-yl)ethanamine
CID 115012585
3,3-difluoro-1-(piperidin-4-ylmethyl)piperidine
CID 115030744
3-(3-fluoro-3-methylpiperidin-1-yl)propan-1-ol
CID 126793849
9-(cyclobutylmethyl)-2-(cyclopentylmethyl)-2,9-diazaspiro[4.5]decane
CID 45249551
1-benzyl-3-fluoro-3-methylpiperidine
CID 136545779
1-(azetidin-1-yl)-2-(3-fluoro-3-methylpiperidin-1-yl)ethanone
CID 126790320
3-fluoro-3-methylpiperidin-1-amine
CID 118303158
9-(cyclopropylmethyl)-2-methyl-2,9-diazaspiro[5.5]undecane
CID 171845215
1-(cyclopropylmethyl)-4-methylpiperidin-4-ol
CID 114286475

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(cyclopropylmethyl)-3-fluoro-3-methylpiperidine?
The IUPAC name of (3S)-1-(cyclopropylmethyl)-3-fluoro-3-methylpiperidine (CID 134195634) is (3S)-1-(cyclopropylmethyl)-3-fluoro-3-methylpiperidine.
What is the SMILES notation for (3S)-1-(cyclopropylmethyl)-3-fluoro-3-methylpiperidine?
The canonical SMILES for (3S)-1-(cyclopropylmethyl)-3-fluoro-3-methylpiperidine is C[C@]1(F)CCCN(CC2CC2)C1.
What is the InChIKey of (3S)-1-(cyclopropylmethyl)-3-fluoro-3-methylpiperidine?
The InChIKey is LDQXJBNRBMUZOX-JTQLQIEISA-N. The full InChI is InChI=1S/C10H18FN/c1-10(11)5-2-6-12(8-10)7-9-3-4-9/h9H,2-8H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-1-(cyclopropylmethyl)-3-fluoro-3-methylpiperidine?
(3S)-1-(cyclopropylmethyl)-3-fluoro-3-methylpiperidine has a molecular weight of 171.26 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(cyclopropylmethyl)-3-fluoro-3-methylpiperidine is sourced from PubChem (CID 134195634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).