N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine;dihydrochloride

C14H22Cl2N2 — CID 91663353

IUPACN-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine;dihydrochloride
SMILESCl.Cl.c1ccc([C@@H]2C[C@H]2NC2CCNCC2)cc1
InChIInChI=1S/C14H20N2.2ClH/c1-2-4-11(5-3-1)13-10-14(13)16-12-6-8-15-9-7-12;;/h1-5,12-16H,6-10H2;2*1H/t13-,14+;;/m0../s1
InChIKeyPJFZOGMSPBHPNS-WICJZZOFSA-N
MW289.25 g/mol
LogP2.73
Rot. Bonds3

About N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine;dihydrochloride

N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine;dihydrochloride (PubChem CID 91663353) has the molecular formula C14H22Cl2N2 and a molecular weight of 289.25 g/mol. Its IUPAC name is N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound NameN-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine;dihydrochloride
PubChem CID91663353
Molecular FormulaC14H22Cl2N2
Molecular Weight289.25 g/mol
Exact Mass288.12
IUPAC NameN-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine;dihydrochloride
SMILESCl.Cl.c1ccc([C@@H]2C[C@H]2NC2CCNCC2)cc1
InChIInChI=1S/C14H20N2.2ClH/c1-2-4-11(5-3-1)13-10-14(13)16-12-6-8-15-9-7-12;;/h1-5,12-16H,6-10H2;2*1H/t13-,14+;;/m0../s1
InChIKeyPJFZOGMSPBHPNS-WICJZZOFSA-N
XLogP2.73
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine;dihydrochloride?
The IUPAC name of N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine;dihydrochloride (CID 91663353) is N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine;dihydrochloride.
What is the SMILES notation for N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine;dihydrochloride?
The canonical SMILES for N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine;dihydrochloride is Cl.Cl.c1ccc([C@@H]2C[C@H]2NC2CCNCC2)cc1.
What is the InChIKey of N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine;dihydrochloride?
The InChIKey is PJFZOGMSPBHPNS-WICJZZOFSA-N. The full InChI is InChI=1S/C14H20N2.2ClH/c1-2-4-11(5-3-1)13-10-14(13)16-12-6-8-15-9-7-12;;/h1-5,12-16H,6-10H2;2*1H/t13-,14+;;/m0../s1.
What are the key properties of N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine;dihydrochloride?
N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine;dihydrochloride has a molecular weight of 289.25 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 91663353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).