(3R)-1-[2-tert-butyl-4-[1-(2-tert-butylphenyl)piperidin-4-yl]phenyl]pyrrolidin-3-amine

C29H43N3 — CID 134319175

IUPAC(3R)-1-[2-tert-butyl-4-[1-(2-tert-butylphenyl)piperidin-4-yl]phenyl]pyrrolidin-3-amine
SMILESCC(C)(C)c1ccccc1N1CCC(c2ccc(N3CC[C@@H](N)C3)c(C(C)(C)C)c2)CC1
InChIInChI=1S/C29H43N3/c1-28(2,3)24-9-7-8-10-26(24)31-16-13-21(14-17-31)22-11-12-27(25(19-22)29(4,5)6)32-18-15-23(30)20-32/h7-12,19,21,23H,13-18,20,30H2,1-6H3/t23-/m1/s1
InChIKeyHONOXZYGCOBNGO-HSZRJFAPSA-N
MW433.68 g/mol
LogP6.20
Rot. Bonds3

About (3R)-1-[2-tert-butyl-4-[1-(2-tert-butylphenyl)piperidin-4-yl]phenyl]pyrrolidin-3-amine

(3R)-1-[2-tert-butyl-4-[1-(2-tert-butylphenyl)piperidin-4-yl]phenyl]pyrrolidin-3-amine (PubChem CID 134319175) has the molecular formula C29H43N3 and a molecular weight of 433.68 g/mol. Its IUPAC name is (3R)-1-[2-tert-butyl-4-[1-(2-tert-butylphenyl)piperidin-4-yl]phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[2-tert-butyl-4-[1-(2-tert-butylphenyl)piperidin-4-yl]phenyl]pyrrolidin-3-amine
PubChem CID134319175
Molecular FormulaC29H43N3
Molecular Weight433.68 g/mol
Exact Mass433.35
IUPAC Name(3R)-1-[2-tert-butyl-4-[1-(2-tert-butylphenyl)piperidin-4-yl]phenyl]pyrrolidin-3-amine
SMILESCC(C)(C)c1ccccc1N1CCC(c2ccc(N3CC[C@@H](N)C3)c(C(C)(C)C)c2)CC1
InChIInChI=1S/C29H43N3/c1-28(2,3)24-9-7-8-10-26(24)31-16-13-21(14-17-31)22-11-12-27(25(19-22)29(4,5)6)32-18-15-23(30)20-32/h7-12,19,21,23H,13-18,20,30H2,1-6H3/t23-/m1/s1
InChIKeyHONOXZYGCOBNGO-HSZRJFAPSA-N
XLogP6.20
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.68
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-tert-butyl-4-[1-(2-tert-butylphenyl)piperidin-4-yl]phenyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[2-tert-butyl-4-[1-(2-tert-butylphenyl)piperidin-4-yl]phenyl]pyrrolidin-3-amine (CID 134319175) is (3R)-1-[2-tert-butyl-4-[1-(2-tert-butylphenyl)piperidin-4-yl]phenyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[2-tert-butyl-4-[1-(2-tert-butylphenyl)piperidin-4-yl]phenyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[2-tert-butyl-4-[1-(2-tert-butylphenyl)piperidin-4-yl]phenyl]pyrrolidin-3-amine is CC(C)(C)c1ccccc1N1CCC(c2ccc(N3CC[C@@H](N)C3)c(C(C)(C)C)c2)CC1.
What is the InChIKey of (3R)-1-[2-tert-butyl-4-[1-(2-tert-butylphenyl)piperidin-4-yl]phenyl]pyrrolidin-3-amine?
The InChIKey is HONOXZYGCOBNGO-HSZRJFAPSA-N. The full InChI is InChI=1S/C29H43N3/c1-28(2,3)24-9-7-8-10-26(24)31-16-13-21(14-17-31)22-11-12-27(25(19-22)29(4,5)6)32-18-15-23(30)20-32/h7-12,19,21,23H,13-18,20,30H2,1-6H3/t23-/m1/s1.
What are the key properties of (3R)-1-[2-tert-butyl-4-[1-(2-tert-butylphenyl)piperidin-4-yl]phenyl]pyrrolidin-3-amine?
(3R)-1-[2-tert-butyl-4-[1-(2-tert-butylphenyl)piperidin-4-yl]phenyl]pyrrolidin-3-amine has a molecular weight of 433.68 g/mol, XLogP of 6.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-tert-butyl-4-[1-(2-tert-butylphenyl)piperidin-4-yl]phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 134319175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).