(1S,2S,4R)-N-(2-piperidin-1-ylethyl)bicyclo[2.2.1]heptan-2-amine

C14H26N2 — CID 1378405

IUPAC(1S,2S,4R)-N-(2-piperidin-1-ylethyl)bicyclo[2.2.1]heptan-2-amine
SMILESC1CCN(CCN[C@H]2C[C@@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C14H26N2/c1-2-7-16(8-3-1)9-6-15-14-11-12-4-5-13(14)10-12/h12-15H,1-11H2/t12-,13+,14+/m1/s1
InChIKeyLQHKDSWYWCZCSA-RDBSUJKOSA-N
MW222.38 g/mol
LogP2.25
Rot. Bonds4

About (1S,2S,4R)-N-(2-piperidin-1-ylethyl)bicyclo[2.2.1]heptan-2-amine

(1S,2S,4R)-N-(2-piperidin-1-ylethyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 1378405) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is (1S,2S,4R)-N-(2-piperidin-1-ylethyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1S,2S,4R)-N-(2-piperidin-1-ylethyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID1378405
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name(1S,2S,4R)-N-(2-piperidin-1-ylethyl)bicyclo[2.2.1]heptan-2-amine
SMILESC1CCN(CCN[C@H]2C[C@@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C14H26N2/c1-2-7-16(8-3-1)9-6-15-14-11-12-4-5-13(14)10-12/h12-15H,1-11H2/t12-,13+,14+/m1/s1
InChIKeyLQHKDSWYWCZCSA-RDBSUJKOSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-N-(2-piperidin-1-ylethyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1S,2S,4R)-N-(2-piperidin-1-ylethyl)bicyclo[2.2.1]heptan-2-amine (CID 1378405) is (1S,2S,4R)-N-(2-piperidin-1-ylethyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1S,2S,4R)-N-(2-piperidin-1-ylethyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1S,2S,4R)-N-(2-piperidin-1-ylethyl)bicyclo[2.2.1]heptan-2-amine is C1CCN(CCN[C@H]2C[C@@H]3CC[C@H]2C3)CC1.
What is the InChIKey of (1S,2S,4R)-N-(2-piperidin-1-ylethyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is LQHKDSWYWCZCSA-RDBSUJKOSA-N. The full InChI is InChI=1S/C14H26N2/c1-2-7-16(8-3-1)9-6-15-14-11-12-4-5-13(14)10-12/h12-15H,1-11H2/t12-,13+,14+/m1/s1.
What are the key properties of (1S,2S,4R)-N-(2-piperidin-1-ylethyl)bicyclo[2.2.1]heptan-2-amine?
(1S,2S,4R)-N-(2-piperidin-1-ylethyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 222.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-N-(2-piperidin-1-ylethyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 1378405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).