1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperidine

C17H34N2 — CID 176629837

IUPAC1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperidine
SMILESCC(C)(C)N1CCC([C@@H]2CCN(C(C)(C)C)C2)CC1
InChIInChI=1S/C17H34N2/c1-16(2,3)18-10-7-14(8-11-18)15-9-12-19(13-15)17(4,5)6/h14-15H,7-13H2,1-6H3/t15-/m1/s1
InChIKeySEGVKNRDVRLFTM-OAHLLOKOSA-N
MW266.47 g/mol
LogP3.62
Rot. Bonds1

About 1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperidine

1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperidine (PubChem CID 176629837) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperidine
PubChem CID176629837
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperidine
SMILESCC(C)(C)N1CCC([C@@H]2CCN(C(C)(C)C)C2)CC1
InChIInChI=1S/C17H34N2/c1-16(2,3)18-10-7-14(8-11-18)15-9-12-19(13-15)17(4,5)6/h14-15H,7-13H2,1-6H3/t15-/m1/s1
InChIKeySEGVKNRDVRLFTM-OAHLLOKOSA-N
XLogP3.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-4-[(3R)-1-tert-butylpyrrolidin-3-yl]piperidine
CID 176629990
(4aR,9aS)-2-tert-butyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine
CID 177091960
2-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;methanamine
CID 161009351
2-tert-butyl-7-propan-2-yl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine
CID 156551467
(3aR,7aS)-2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 58968201
1-tert-butyl-4-(1-tert-butylpyrrolidin-3-yl)sulfonylpiperazine
CID 153452685
2-[(3R)-1-tert-butylpyrrolidin-3-yl]propan-2-ol
CID 177116525
5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
CID 118901667
1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butylpyrrolidine
CID 163734387
4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)-2-methylpiperazine
CID 176629966
7-tert-butyl-1-chloro-2,3,4,4a,5,6,8,8a-octahydro-1H-2,7-naphthyridine
CID 168735170
1-tert-butyl-3-tert-butylsulfanylpyrrolidine
CID 59522782

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperidine?
The IUPAC name of 1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperidine (CID 176629837) is 1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperidine.
What is the SMILES notation for 1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperidine?
The canonical SMILES for 1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperidine is CC(C)(C)N1CCC([C@@H]2CCN(C(C)(C)C)C2)CC1.
What is the InChIKey of 1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperidine?
The InChIKey is SEGVKNRDVRLFTM-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H34N2/c1-16(2,3)18-10-7-14(8-11-18)15-9-12-19(13-15)17(4,5)6/h14-15H,7-13H2,1-6H3/t15-/m1/s1.
What are the key properties of 1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperidine?
1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperidine has a molecular weight of 266.47 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperidine is sourced from PubChem (CID 176629837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).